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

Systemtic Name: N-[[4-(4-ethoxyphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-(4-ethoxyphenyl)-5-isopropylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[4-(4-ethoxyphenyl)-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[4-(4-ethoxyphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[5-(isopropylthio)-4-p-phenetyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N4O3S/c1-5-29-19-12-8-17(9-13-19)26-20(24-25-22(26)30-15(2)3)14-23-21(27)16-6-10-18(28-4)11-7-16/h6-13,15H,5,14H2,1-4H3,(H,23,27)