2-[methyl-[[4-(3-methylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]amino]-N-propyl-ethanamide

Systemtic Name: 2-[methyl-[[4-(3-methylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]amino]-N-propyl-ethanamide Openeye Name: 2-[methyl-[[4-(m-tolyl)-3-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]amino]-N-propyl-acetamide CAS Name: 2-[methyl-[[4-(3-methylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]amino]-N-propylacetamide IUPAC Name: 2-[methyl-[[4-(3-methylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]amino]-N-propylacetamide Traditional Name: 2-[methyl-[[4-(m-tolyl)-3-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]amino]-N-propyl-acetamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)CN1C(=S)N(C(=N1)C2=CC=CC=C2)C3=CC=CC(=C3)C

Isomeric SMILES

CCCNC(=O)CN(C)CN1C(=S)N(C(=N1)C2=CC=CC=C2)C3=CC=CC(=C3)C

InChI

InChI=1S/C22H27N5OS/c1-4-13-23-20(28)15-25(3)16-26-22(29)27(19-12-8-9-17(2)14-19)21(24-26)18-10-6-5-7-11-18/h5-12,14H,4,13,15-16H2,1-3H3,(H,23,28)