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

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

CC1=C(C(=CC=C1)N2C(=NN=C2SC(C)C)CNC(=O)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=NN=C2SC(C)C)CNC(=O)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C22H26N4O2S/c1-14(2)29-22-25-24-20(26(22)19-8-6-7-15(3)16(19)4)13-23-21(27)17-9-11-18(28-5)12-10-17/h6-12,14H,13H2,1-5H3,(H,23,27)