3,4-dimethoxy-N-[[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-(2-anilino-2-oxo-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide CAS Name: N-[[5-[(2-anilino-2-oxoethyl)thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[5-(2-anilino-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide Traditional Name: N-[[4-allyl-5-[(2-anilino-2-keto-ethyl)thio]-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide Formula: C23H25N5O4S MolecularWeight: 467.5407

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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)NC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3)OC

InChI

InChI=1S/C23H25N5O4S/c1-4-12-28-20(14-24-22(30)16-10-11-18(31-2)19(13-16)32-3)26-27-23(28)33-15-21(29)25-17-8-6-5-7-9-17/h4-11,13H,1,12,14-15H2,2-3H3,(H,24,30)(H,25,29)