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

Systemtic Name: 3-[[3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoylamino]methyl]-N-phenyl-benzamide Openeye Name: 3-[[3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]methyl]-N-phenyl-benzamide CAS Name: 3-[[[3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxopropyl]amino]methyl]-N-phenylbenzamide IUPAC Name: 3-[[3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoylamino]methyl]-N-phenylbenzamide Traditional Name: 3-[[3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]methyl]-N-phenyl-benzamide Formula: C26H25N5O2S MolecularWeight: 471.574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NCC3=CC=CC(=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NCC3=CC=CC(=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H25N5O2S/c1-18-7-5-9-20(15-18)24-29-30-26(34)31(24)14-13-23(32)27-17-19-8-6-10-21(16-19)25(33)28-22-11-3-2-4-12-22/h2-12,15-16H,13-14,17H2,1H3,(H,27,32)(H,28,33)(H,30,34)