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

Systemtic Name: 3,4-dimethyl-N-[[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-3,4-dimethyl-benzamide CAS Name: 3,4-dimethyl-N-[[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: N-[(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3,4-dimethylbenzamide Traditional Name: N-[(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-3,4-dimethyl-benzamide Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=NNC(=S)N2CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=NNC(=S)N2CC3=CC=CC=C3)C

InChI

InChI=1S/C19H20N4OS/c1-13-8-9-16(10-14(13)2)18(24)20-11-17-21-22-19(25)23(17)12-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,20,24)(H,22,25)