[2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] 1H-indazole-3-carboxylate CAS Name: 1H-indazole-3-carboxylic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 1H-indazole-3-carboxylate Traditional Name: 1H-indazole-3-carboxylic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)COC(=O)C2=NNC3=CC=CC=C32)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)COC(=O)C2=NNC3=CC=CC=C32)C)SC#N

InChI

InChI=1S/C19H16N4O3S/c1-11-7-13(27-10-20)8-12(2)17(11)21-16(24)9-26-19(25)18-14-5-3-4-6-15(14)22-23-18/h3-8H,9H2,1-2H3,(H,21,24)(H,22,23)