ethyl 4-(4-chloranyl-3-nitro-phenyl)-6-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-chloranyl-3-nitro-phenyl)-6-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chloro-3-nitro-phenyl)-6-phenyl-2-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-chloro-3-nitrophenyl)-6-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chloro-3-nitrophenyl)-6-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-chloro-3-nitro-phenyl)-6-phenyl-2-thioxo-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H14ClN3O4S MolecularWeight: 415.85016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)N=C1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N=C1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H14ClN3O4S/c1-2-27-18(24)15-16(11-6-4-3-5-7-11)21-19(28)22-17(15)12-8-9-13(20)14(10-12)23(25)26/h3-10H,2H2,1H3,(H,21,22,28)