4-methoxy-N-[[5-[(3-methylphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 4-methoxy-N-[[5-[(3-methylphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-methoxy-N-[[5-(m-tolylmethylsulfanyl)-4-phenethyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-methoxy-N-[[5-[(3-methylphenyl)methylthio]-4-phenethyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-methoxy-N-[[5-[(3-methylphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-methoxy-N-[[5-[(3-methylbenzyl)thio]-4-phenethyl-1,2,4-triazol-3-yl]methyl]benzamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H28N4O2S/c1-20-7-6-10-22(17-20)19-34-27-30-29-25(31(27)16-15-21-8-4-3-5-9-21)18-28-26(32)23-11-13-24(33-2)14-12-23/h3-14,17H,15-16,18-19H2,1-2H3,(H,28,32)