C18H22N6O3S

1-[(E)-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea

Also Known As: (2E)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide|(E)-N-allyl-2-(3-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)-4-methoxybenzylidene)hydrazinecarbothioamide|[((1E)-2-{3-[(3,5-dimethyl-4-nitropyrazolyl)methyl]-4-methoxyphenyl}-1-azaviny l)amino](prop-2-enylamino)methane-1-thione|N-ALLYL-2-((E)-1-{3-[(3,5-DIMETHYL-4-NITRO-1H-PYRAZOL-1-YL)METHYL]-4-METHOXYPHENYL}METHYLIDENE)-1-HYDRAZINECARBOTHIOAMIDE

Molecular Formula	C18H22N6O3S
Molecular Weight	402.1474 g/mol
LogP	2.44904
Topological Polar Surface Area	106.61 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	402.1474
Monoisotopic Mass	402.1474
Heavy Atoms	28
Complexity	922.28503

Chemical Identifiers

CAS Number	956403-00-2
SMILES	CC1=C(C(=NN1CC2=C(C=CC(=C2)/C=N/NC(=S)NCC=C)OC)C)[N+](=O)[O-]