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

Systemtic Name: methyl 4-(4-chloranyl-3-nitro-phenyl)-6-propan-2-yl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(4-chloro-3-nitro-phenyl)-6-isopropyl-2-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-chloro-3-nitrophenyl)-6-propan-2-yl-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-chloro-3-nitrophenyl)-6-propan-2-yl-2-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-chloro-3-nitro-phenyl)-6-isopropyl-2-thioxo-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C15H14ClN3O4S MolecularWeight: 367.80736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NC(=S)N1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)C1=C(C(=NC(=S)N1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H14ClN3O4S/c1-7(2)12-11(14(20)23-3)13(18-15(24)17-12)8-4-5-9(16)10(6-8)19(21)22/h4-7H,1-3H3,(H,17,18,24)