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

Systemtic Name: methyl 4-(4-methyl-3-nitro-phenyl)-6-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(4-methyl-3-nitro-phenyl)-6-phenyl-2-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-methyl-3-nitrophenyl)-6-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-methyl-3-nitrophenyl)-6-phenyl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-methyl-3-nitro-phenyl)-6-phenyl-2-thioxo-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C19H15N3O4S MolecularWeight: 381.4051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC(=S)NC(=C2C(=O)OC)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC(=S)NC(=C2C(=O)OC)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O4S/c1-11-8-9-13(10-14(11)22(24)25)17-15(18(23)26-2)16(20-19(27)21-17)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,20,21,27)