2-[1-[(3-nitro-1H-pyrrol-2-yl)amino]butan-2-ylsulfanyl-(1,3-thiazol-4-yl)methyl]guanidine

Systemtic Name: 2-[1-[(3-nitro-1H-pyrrol-2-yl)amino]butan-2-ylsulfanyl-(1,3-thiazol-4-yl)methyl]guanidine Openeye Name: 2-[1-[[(3-nitro-1H-pyrrol-2-yl)amino]methyl]propylsulfanyl-thiazol-4-yl-methyl]guanidine CAS Name: 2-[[1-[(3-nitro-1H-pyrrol-2-yl)amino]butan-2-ylthio]-(4-thiazolyl)methyl]guanidine IUPAC Name: 2-[1-[(3-nitro-1H-pyrrol-2-yl)amino]butan-2-ylsulfanyl-(1,3-thiazol-4-yl)methyl]guanidine Traditional Name: 2-[[1-[[(3-nitro-1H-pyrrol-2-yl)amino]methyl]propylthio]-thiazol-4-yl-methyl]guanidine Formula: C13H19N7O2S2 MolecularWeight: 369.46566

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=C(C=CN1)[N+](=O)[O-])SC(C2=CSC=N2)N=C(N)N

Isomeric SMILES

CCC(CNC1=C(C=CN1)[N+](=O)[O-])SC(C2=CSC=N2)N=C(N)N

InChI

InChI=1S/C13H19N7O2S2/c1-2-8(5-17-11-10(20(21)22)3-4-16-11)24-12(19-13(14)15)9-6-23-7-18-9/h3-4,6-8,12,16-17H,2,5H2,1H3,(H4,14,15,19)