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

Systemtic Name: N-[(4-ethoxyphenyl)-phenyl-methyl]-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-[(4-ethoxyphenyl)-phenyl-methyl]-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[(4-ethoxyphenyl)-phenylmethyl]-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-[(4-ethoxyphenyl)-phenylmethyl]-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[phenyl(p-phenetyl)methyl]propionamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CCN3C(=NNC3=S)C4=CC(=CC=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CCN3C(=NNC3=S)C4=CC(=CC=C4)C

InChI

InChI=1S/C27H28N4O2S/c1-3-33-23-14-12-21(13-15-23)25(20-9-5-4-6-10-20)28-24(32)16-17-31-26(29-30-27(31)34)22-11-7-8-19(2)18-22/h4-15,18,25H,3,16-17H2,1-2H3,(H,28,32)(H,30,34)