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

Systemtic Name: methyl 4-(4-methyl-3-nitro-phenyl)-6-propan-2-yl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 6-isopropyl-4-(4-methyl-3-nitro-phenyl)-2-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-methyl-3-nitrophenyl)-6-propan-2-yl-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-methyl-3-nitrophenyl)-6-propan-2-yl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 6-isopropyl-4-(4-methyl-3-nitro-phenyl)-2-thioxo-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4S/c1-8(2)13-12(15(20)23-4)14(18-16(24)17-13)10-6-5-9(3)11(7-10)19(21)22/h5-8H,1-4H3,(H,17,18,24)