N-[[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide

Systemtic Name: N-[[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide Openeye Name: N-[[4-(2-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide CAS Name: N-[[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide IUPAC Name: N-[[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide Traditional Name: N-[[4-(2-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide Formula: C17H15ClN4OS MolecularWeight: 358.8452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC2=NNC(=S)N2C3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC2=NNC(=S)N2C3=CC=CC=C3Cl

InChI

InChI=1S/C17H15ClN4OS/c1-11-6-8-12(9-7-11)16(23)19-10-15-20-21-17(24)22(15)14-5-3-2-4-13(14)18/h2-9H,10H2,1H3,(H,19,23)(H,21,24)