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

Systemtic Name: methyl N-[5-methylsulfanyl-2-(phenylmethyl)-1,2,4-triazol-3-yl]-N-(phenylmethyl)carbamodithioate Openeye Name: methyl N-benzyl-N-(2-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)carbamodithioate CAS Name: N-[5-(methylthio)-2-(phenylmethyl)-1,2,4-triazol-3-yl]-N-(phenylmethyl)carbamodithioic acid methyl ester IUPAC Name: methyl N-benzyl-N-(2-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)carbamodithioate Traditional Name: N-benzyl-N-[2-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(=N1)N(CC2=CC=CC=C2)C(=S)SC)CC3=CC=CC=C3

Isomeric SMILES

CSC1=NN(C(=N1)N(CC2=CC=CC=C2)C(=S)SC)CC3=CC=CC=C3

InChI

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