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

Systemtic Name: N-[[4-(4-ethoxyphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-(4-ethoxyphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[4-(4-ethoxyphenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[4-(4-ethoxyphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[5-(ethylthio)-4-p-phenetyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24N4O3S/c1-4-28-18-12-8-16(9-13-18)25-19(23-24-21(25)29-5-2)14-22-20(26)15-6-10-17(27-3)11-7-15/h6-13H,4-5,14H2,1-3H3,(H,22,26)