phenyl 1-[1-ethoxy-3-[(4-nitrophenyl)amino]-1-oxidanylidene-3-sulfanylidene-propan-2-yl]benzotriazole-5-carboxylate

Systemtic Name: phenyl 1-[1-ethoxy-3-[(4-nitrophenyl)amino]-1-oxidanylidene-3-sulfanylidene-propan-2-yl]benzotriazole-5-carboxylate Openeye Name: phenyl 1-[1-ethoxycarbonyl-2-(4-nitroanilino)-2-thioxo-ethyl]benzotriazole-5-carboxylate CAS Name: 1-[1-ethoxy-3-(4-nitroanilino)-1-oxo-3-sulfanylidenepropan-2-yl]-5-benzotriazolecarboxylic acid phenyl ester IUPAC Name: phenyl 1-[1-ethoxy-3-(4-nitroanilino)-1-oxo-3-sulfanylidenepropan-2-yl]benzotriazole-5-carboxylate Traditional Name: 1-[1-carbethoxy-2-(4-nitroanilino)-2-thioxo-ethyl]benzotriazole-5-carboxylic acid phenyl ester Formula: C24H19N5O6S MolecularWeight: 505.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=S)NC1=CC=C(C=C1)[N+](=O)[O-])N2C3=C(C=C(C=C3)C(=O)OC4=CC=CC=C4)N=N2

Isomeric SMILES

CCOC(=O)C(C(=S)NC1=CC=C(C=C1)[N+](=O)[O-])N2C3=C(C=C(C=C3)C(=O)OC4=CC=CC=C4)N=N2

InChI

InChI=1S/C24H19N5O6S/c1-2-34-24(31)21(22(36)25-16-9-11-17(12-10-16)29(32)33)28-20-13-8-15(14-19(20)26-27-28)23(30)35-18-6-4-3-5-7-18/h3-14,21H,2H2,1H3,(H,25,36)