methyl N-[(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)carbothioylamino]-N'-(phenylmethyl)carbamimidothioate

Systemtic Name: methyl N-[(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)carbothioylamino]-N'-(phenylmethyl)carbamimidothioate Openeye Name: 1-[(5-amino-3-methylsulfanyl-1,2,4-triazole-1-carbothioyl)amino]-3-benzyl-2-methyl-isothiourea CAS Name: N-[[[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-sulfanylidenemethyl]amino]-N'-(phenylmethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-[(5-amino-3-methylsulfanyl-1,2,4-triazole-1-carbothioyl)amino]-N'-benzylcarbamimidothioate Traditional Name: 1-[[5-amino-3-(methylthio)-1,2,4-triazole-1-carbothioyl]amino]-3-benzyl-2-methyl-isothiourea Formula: C13H17N7S3 MolecularWeight: 367.51598

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=N1)N)C(=S)NNC(=NCC2=CC=CC=C2)SC

Isomeric SMILES

CSC1=NN(C(=N1)N)C(=S)NNC(=NCC2=CC=CC=C2)SC

InChI

InChI=1S/C13H17N7S3/c1-22-11(15-8-9-6-4-3-5-7-9)17-18-13(21)20-10(14)16-12(19-20)23-2/h3-7H,8H2,1-2H3,(H,15,17)(H,18,21)(H2,14,16,19)