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

Systemtic Name: 4-methoxy-N-[(4-phenethyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide Openeye Name: N-[(5-isopropylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-benzamide CAS Name: 4-methoxy-N-[[4-phenethyl-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-methoxy-N-[(4-phenethyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide Traditional Name: N-[[5-(isopropylthio)-4-phenethyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C(N1CCC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)SC1=NN=C(N1CCC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N4O2S/c1-16(2)29-22-25-24-20(26(22)14-13-17-7-5-4-6-8-17)15-23-21(27)18-9-11-19(28-3)12-10-18/h4-12,16H,13-15H2,1-3H3,(H,23,27)