AC1MWMSA

6-amino-3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-4-(2-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Also Known As: KS-00003S7V|SS-0885|2-({[6-amino-5-cyano-4-(2-nitrophenyl)-1H,4H-pyrano[2,3-c]pyrazol-3-yl]methyl}sulfanyl)-4,6-dimethylpyridine-3-carbonitrile|6-amino-3-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-4-(2-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile|6-amino-3-{[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]methyl}-4-(2-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile|6-amino-3-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4-(2-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile|6-amino-5-cyano-3-(3-cyano-4,6-dimethylpyridin-2-ylthiomethyl)-4-(2-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole

Molecular Formula	C22H17N7O3S
Molecular Weight	459.11136 g/mol
LogP	3.7119
Topological Polar Surface Area	167.54 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	5
Exact Mass	459.11136
Monoisotopic Mass	459.11136
Heavy Atoms	33
Complexity	1397.9465

Chemical Identifiers

CAS Number	328068-41-3
SMILES	CC1=CC(=NC(=C1C#N)SCC2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC=CC=C4[N+](=O)[O-])C