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

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-ethanamide Openeye Name: 2-[[4-(3,4-dimethylphenyl)-3-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide CAS Name: 2-[[4-(3,4-dimethylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propylacetamide IUPAC Name: 2-[[4-(3,4-dimethylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propylacetamide Traditional Name: 2-[[4-(3,4-dimethylphenyl)-3-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide Formula: C23H29N5OS MolecularWeight: 423.57426

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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(=C(C=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5OS/c1-5-13-24-21(29)15-26(4)16-27-23(30)28(20-12-11-17(2)18(3)14-20)22(25-27)19-9-7-6-8-10-19/h6-12,14H,5,13,15-16H2,1-4H3,(H,24,29)