N-[[4-(2-ethyl-6-methyl-phenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide

Systemtic Name: N-[[4-(2-ethyl-6-methyl-phenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-(2-ethyl-6-methyl-phenyl)-5-isopropylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[4-(2-ethyl-6-methylphenyl)-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[4-(2-ethyl-6-methylphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-(2-ethyl-6-methyl-phenyl)-5-(isopropylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N2C(=NN=C2SC(C)C)CNC(=O)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1N2C(=NN=C2SC(C)C)CNC(=O)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C23H28N4O2S/c1-6-17-9-7-8-16(4)21(17)27-20(25-26-23(27)30-15(2)3)14-24-22(28)18-10-12-19(29-5)13-11-18/h7-13,15H,6,14H2,1-5H3,(H,24,28)