N-methyl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-phenylphenyl)methyl]propanamide

Systemtic Name: N-methyl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-phenylphenyl)methyl]propanamide Openeye Name: N-methyl-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[(4-phenylphenyl)methyl]propanamide CAS Name: N-methyl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-phenylphenyl)methyl]propanamide IUPAC Name: N-methyl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-phenylphenyl)methyl]propanamide Traditional Name: N-methyl-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(4-phenylbenzyl)propionamide Formula: C26H26N4OS MolecularWeight: 442.57584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)N(C)CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)N(C)CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H26N4OS/c1-19-7-6-10-23(17-19)25-27-28-26(32)30(25)16-15-24(31)29(2)18-20-11-13-22(14-12-20)21-8-4-3-5-9-21/h3-14,17H,15-16,18H2,1-2H3,(H,28,32)