2-[5-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethanoate

Systemtic Name: 2-[5-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethanoate Openeye Name: 2-[5-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanyl-3-(4-pyridyl)-1,2,4-triazol-1-yl]acetate CAS Name: 2-[5-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-3-pyridin-4-yl-1,2,4-triazol-1-yl]acetate IUPAC Name: 2-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]acetate Traditional Name: 2-[5-[[2-keto-2-(p-anisidino)ethyl]thio]-3-(4-pyridyl)-1,2,4-triazol-1-yl]acetate Formula: C18H16N5O4S- MolecularWeight: 398.41574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=NC(=NN2CC(=O)[O-])C3=CC=NC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=NC(=NN2CC(=O)[O-])C3=CC=NC=C3

InChI

InChI=1S/C18H17N5O4S/c1-27-14-4-2-13(3-5-14)20-15(24)11-28-18-21-17(12-6-8-19-9-7-12)22-23(18)10-16(25)26/h2-9H,10-11H2,1H3,(H,20,24)(H,25,26)/p-1