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

Systemtic Name: N-[[4-ethyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[5-(2-anilino-2-oxo-ethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide CAS Name: N-[[5-[(2-anilino-2-oxoethyl)thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide Traditional Name: N-[[5-[(2-anilino-2-keto-ethyl)thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CNC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CNC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H25N5O4S/c1-4-27-19(13-23-21(29)15-10-11-17(30-2)18(12-15)31-3)25-26-22(27)32-14-20(28)24-16-8-6-5-7-9-16/h5-12H,4,13-14H2,1-3H3,(H,23,29)(H,24,28)