methyl N-[5-methylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]-N-(phenylmethyl)carbamodithioate

Systemtic Name: methyl N-[5-methylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]-N-(phenylmethyl)carbamodithioate Openeye Name: methyl N-benzyl-N-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)carbamodithioate CAS Name: N-[5-(methylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]-N-(phenylmethyl)carbamodithioic acid methyl ester IUPAC Name: methyl N-benzyl-N-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)carbamodithioate Traditional Name: N-benzyl-N-[4-benzyl-5-(methylthio)-1,2,4-triazol-3-yl]carbamodithioic acid methyl ester Formula: C19H20N4S3 MolecularWeight: 400.5839

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1CC2=CC=CC=C2)N(CC3=CC=CC=C3)C(=S)SC

Isomeric SMILES

CSC1=NN=C(N1CC2=CC=CC=C2)N(CC3=CC=CC=C3)C(=S)SC

InChI

InChI=1S/C19H20N4S3/c1-25-18-21-20-17(22(18)13-15-9-5-3-6-10-15)23(19(24)26-2)14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3