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

Systemtic Name: N-[[4-(2-ethyl-6-methyl-phenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[5-benzylsulfanyl-4-(2-ethyl-6-methyl-phenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[4-(2-ethyl-6-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[5-benzylsulfanyl-4-(2-ethyl-6-methylphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[5-(benzylthio)-4-(2-ethyl-6-methyl-phenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N2C(=NN=C2SCC3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1N2C(=NN=C2SCC3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C27H28N4O2S/c1-4-21-12-8-9-19(2)25(21)31-24(17-28-26(32)22-13-15-23(33-3)16-14-22)29-30-27(31)34-18-20-10-6-5-7-11-20/h5-16H,4,17-18H2,1-3H3,(H,28,32)