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

Systemtic Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-phenylmethoxyphenyl)methyl]propanamide Openeye Name: N-[(4-benzyloxyphenyl)methyl]-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-phenylmethoxyphenyl)methyl]propanamide IUPAC Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-phenylmethoxyphenyl)methyl]propanamide Traditional Name: N-(4-benzoxybenzyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NCC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NCC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H26N4O2S/c1-19-6-5-9-22(16-19)25-28-29-26(33)30(25)15-14-24(31)27-17-20-10-12-23(13-11-20)32-18-21-7-3-2-4-8-21/h2-13,16H,14-15,17-18H2,1H3,(H,27,31)(H,29,33)