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

Systemtic Name: N-[[4-(3-chlorophenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-(3-chlorophenyl)-5-isopropylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[4-(3-chlorophenyl)-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[4-(3-chlorophenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-(3-chlorophenyl)-5-(isopropylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C(N1C2=CC(=CC=C2)Cl)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)SC1=NN=C(N1C2=CC(=CC=C2)Cl)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H21ClN4O2S/c1-13(2)28-20-24-23-18(25(20)16-6-4-5-15(21)11-16)12-22-19(26)14-7-9-17(27-3)10-8-14/h4-11,13H,12H2,1-3H3,(H,22,26)