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

Systemtic Name: 3,4-dimethoxy-N-[(5-phenacylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)methyl]benzamide Openeye Name: N-[(4-allyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-3,4-dimethoxy-benzamide CAS Name: 3,4-dimethoxy-N-[[5-(phenacylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[(5-phenacylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)methyl]benzamide Traditional Name: N-[[4-allyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C23H24N4O4S/c1-4-12-27-21(14-24-22(29)17-10-11-19(30-2)20(13-17)31-3)25-26-23(27)32-15-18(28)16-8-6-5-7-9-16/h4-11,13H,1,12,14-15H2,2-3H3,(H,24,29)