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

Systemtic Name: 4-methyl-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]-4-methyl-benzamide CAS Name: 4-methyl-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]-4-methylbenzamide Traditional Name: N-[(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-4-methyl-benzamide Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4OS/c1-13-7-9-15(10-8-13)17(23)19-11-16-20-21-18(24)22(16)12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,23)(H,21,24)