Zinc02905623

[1-[2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-1,2,4-triazol-4-ium-4-yl]-nitroazanide

Also Known As: CBMicro_026019|BIM-0025975.P001|AG-205/15424647|SR-01000516540-1|A1459/0064301|(1-(2-((5-(butylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)-1H-1,2,4-triazol-4-ium-4-yl)(nitro)amide|[1-(2-{[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)-1H-1,2,4-triazol-4-ium-4-yl](nitro)azanide|[1-[2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-1,2,4-triazol-4-ium-4-yl]-nitroazanide|1-(2-{[5-(Butylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)-N-nitro-1H-1,2,4-triazol-4-ium-4-aminide

Molecular Formula	C10H14N8O3S2
Molecular Weight	358.06302 g/mol
LogP	0.8815
Topological Polar Surface Area	133.82 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	358.06302
Monoisotopic Mass	358.06302
Heavy Atoms	23
Complexity	672.6201

Chemical Identifiers

CAS Number	5613-01-4
SMILES	CCCCSC1=NN=C(S1)NC(=O)CN2C=[N+](C=N2)[N-][N+](=O)[O-]