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

Systemtic Name: methyl N-(5-methylsulfanyl-2-phenyl-1,2,4-triazol-3-yl)-N-(phenylmethyl)carbamodithioate Openeye Name: methyl N-benzyl-N-(5-methylsulfanyl-2-phenyl-1,2,4-triazol-3-yl)carbamodithioate CAS Name: N-[5-(methylthio)-2-phenyl-1,2,4-triazol-3-yl]-N-(phenylmethyl)carbamodithioic acid methyl ester IUPAC Name: methyl N-benzyl-N-(5-methylsulfanyl-2-phenyl-1,2,4-triazol-3-yl)carbamodithioate Traditional Name: N-benzyl-N-[5-(methylthio)-2-phenyl-1,2,4-triazol-3-yl]carbamodithioic acid methyl ester Formula: C18H18N4S3 MolecularWeight: 386.55732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4S3/c1-24-16-19-17(22(20-16)15-11-7-4-8-12-15)21(18(23)25-2)13-14-9-5-3-6-10-14/h3-12H,13H2,1-2H3