prop-2-enyl 3,4-dimethyl-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: prop-2-enyl 3,4-dimethyl-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: allyl 3,4-dimethyl-6-(4-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3,4-dimethyl-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-dimethyl-6-(4-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid allyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC=C

Isomeric SMILES

CC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC=C

InChI

InChI=1S/C16H17N3O4S/c1-4-9-23-15(20)13-10(2)18(3)16(24)17-14(13)11-5-7-12(8-6-11)19(21)22/h4-8,14H,1,9H2,2-3H3,(H,17,24)