N-[[4-(2,5-dimethoxyphenyl)-5-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide

Systemtic Name: N-[[4-(2,5-dimethoxyphenyl)-5-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide Openeye Name: N-[[4-(2,5-dimethoxyphenyl)-5-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide CAS Name: N-[[4-(2,5-dimethoxyphenyl)-5-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide IUPAC Name: N-[[4-(2,5-dimethoxyphenyl)-5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide Traditional Name: N-[[4-(2,5-dimethoxyphenyl)-5-[[2-keto-2-(p-anisidino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide Formula: C28H29N5O6S MolecularWeight: 563.62476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=C(C=CC(=C3)OC)OC)CNC(=O)C4=CC(=CC=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=C(C=CC(=C3)OC)OC)CNC(=O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C28H29N5O6S/c1-36-20-10-8-19(9-11-20)30-26(34)17-40-28-32-31-25(16-29-27(35)18-6-5-7-21(14-18)37-2)33(28)23-15-22(38-3)12-13-24(23)39-4/h5-15H,16-17H2,1-4H3,(H,29,35)(H,30,34)