N-[[4-(2-ethyl-6-methyl-phenyl)-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide

Systemtic Name: N-[[4-(2-ethyl-6-methyl-phenyl)-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-(2-ethyl-6-methyl-phenyl)-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[4-(2-ethyl-6-methylphenyl)-5-(1-phenylethylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[4-(2-ethyl-6-methylphenyl)-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-(2-ethyl-6-methyl-phenyl)-5-(1-phenylethylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N2C(=NN=C2SC(C)C3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1N2C(=NN=C2SC(C)C3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C28H30N4O2S/c1-5-21-13-9-10-19(2)26(21)32-25(18-29-27(33)23-14-16-24(34-4)17-15-23)30-31-28(32)35-20(3)22-11-7-6-8-12-22/h6-17,20H,5,18H2,1-4H3,(H,29,33)