N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenyl-ethanamide

Systemtic Name: N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenyl-ethanamide Openeye Name: N-[[4-(3,4-dichlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-phenyl-acetamide CAS Name: N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide IUPAC Name: N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide Traditional Name: N-[[4-(3,4-dichlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-phenyl-acetamide Formula: C17H14Cl2N4OS MolecularWeight: 393.29026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NCC2=NNC(=S)N2C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NCC2=NNC(=S)N2C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H14Cl2N4OS/c18-13-7-6-12(9-14(13)19)23-15(21-22-17(23)25)10-20-16(24)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,20,24)(H,22,25)