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

Systemtic Name: (phenylmethyl) N-[(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)carbothioylamino]-N'-phenyl-carbamimidothioate Openeye Name: 1-[(5-amino-3-methylsulfanyl-1,2,4-triazole-1-carbothioyl)amino]-2-benzyl-3-phenyl-isothiourea CAS Name: N-[[[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-sulfanylidenemethyl]amino]-N'-phenylcarbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(5-amino-3-methylsulfanyl-1,2,4-triazole-1-carbothioyl)amino]-N'-phenylcarbamimidothioate Traditional Name: 1-[[5-amino-3-(methylthio)-1,2,4-triazole-1-carbothioyl]amino]-2-benzyl-3-phenyl-isothiourea Formula: C18H19N7S3 MolecularWeight: 429.58536

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=N1)N)C(=S)NNC(=NC2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CSC1=NN(C(=N1)N)C(=S)NNC(=NC2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C18H19N7S3/c1-27-17-21-15(19)25(24-17)18(26)23-22-16(20-14-10-6-3-7-11-14)28-12-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,20,22)(H,23,26)(H2,19,21,24)