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

Systemtic Name: 4-methoxy-N-[[4-phenethyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-methoxy-N-[[4-phenethyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-methoxy-N-[[4-phenethyl-5-(1-phenylethylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-methoxy-N-[[4-phenethyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-methoxy-N-[[4-phenethyl-5-(1-phenylethylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=NN=C(N2CCC3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C1=CC=CC=C1)SC2=NN=C(N2CCC3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)OC

InChI

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