[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 1H-indazole-3-carboxylate CAS Name: 1H-indazole-3-carboxylic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate Traditional Name: 1H-indazole-3-carboxylic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=NNC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=NNC3=CC=CC=C32

InChI

InChI=1S/C19H19N3O3S/c1-13-6-8-14(9-7-13)26-11-10-20-17(23)12-25-19(24)18-15-4-2-3-5-16(15)21-22-18/h2-9H,10-12H2,1H3,(H,20,23)(H,21,22)