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

Systemtic Name: N-[(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxy-benzamide Openeye Name: N-[(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxy-benzamide CAS Name: N-[[4-ethyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide IUPAC Name: N-[(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxybenzamide Traditional Name: N-[[4-ethyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H24N4O4S/c1-4-26-20(13-23-21(28)16-10-11-18(29-2)19(12-16)30-3)24-25-22(26)31-14-17(27)15-8-6-5-7-9-15/h5-12H,4,13-14H2,1-3H3,(H,23,28)