propan-2-yl 6-(4-chloranyl-3-nitro-phenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 6-(4-chloranyl-3-nitro-phenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 6-(4-chloro-3-nitro-phenyl)-3-cyclopropyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-chloro-3-nitrophenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-(4-chloro-3-nitrophenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-chloro-3-nitro-phenyl)-3-cyclopropyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C18H20ClN3O4S MolecularWeight: 409.8871

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2CC2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1C2CC2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)OC(C)C

InChI

InChI=1S/C18H20ClN3O4S/c1-9(2)26-17(23)15-10(3)21(12-5-6-12)18(27)20-16(15)11-4-7-13(19)14(8-11)22(24)25/h4,7-9,12,16H,5-6H2,1-3H3,(H,20,27)