N-[[4-(2,6-diethylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide

Systemtic Name: N-[[4-(2,6-diethylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-(2,6-diethylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[4-(2,6-diethylphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[4-(2,6-diethylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-(2,6-diethylphenyl)-5-(methylthio)-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:

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SC)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SC)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N4O2S/c1-5-15-8-7-9-16(6-2)20(15)26-19(24-25-22(26)29-4)14-23-21(27)17-10-12-18(28-3)13-11-17/h7-13H,5-6,14H2,1-4H3,(H,23,27)