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

Systemtic Name: N-[[4-(2,5-dimethylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-(2,5-dimethylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[4-(2,5-dimethylphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[4-(2,5-dimethylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-(2,5-dimethylphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2S/c1-13-5-6-14(2)17(11-13)24-18(22-23-20(24)27-4)12-21-19(25)15-7-9-16(26-3)10-8-15/h5-11H,12H2,1-4H3,(H,21,25)