N-[[4-ethyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[[4-ethyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[4-ethyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide CAS Name: N-[[4-ethyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[4-ethyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide Traditional Name: N-[[4-ethyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC2=CC=CC=C2)CNC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCN1C(=NN=C1SCCOC2=CC=CC=C2)CNC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H26N4O4S/c1-4-26-20(15-23-21(27)16-10-11-18(28-2)19(14-16)29-3)24-25-22(26)31-13-12-30-17-8-6-5-7-9-17/h5-11,14H,4,12-13,15H2,1-3H3,(H,23,27)