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

Systemtic Name: propan-2-yl 3-cyclopropyl-4-methyl-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3-cyclopropyl-4-methyl-6-(4-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-cyclopropyl-4-methyl-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-cyclopropyl-4-methyl-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-cyclopropyl-4-methyl-6-(4-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-10(2)25-17(22)15-11(3)20(13-8-9-13)18(26)19-16(15)12-4-6-14(7-5-12)21(23)24/h4-7,10,13,16H,8-9H2,1-3H3,(H,19,26)