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5-cyano-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3-carboxylic acid

5-cyano-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3-carboxylic acid

Systemtic Name:5-cyano-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3-carboxylic acid
Openeye Name:5-cyano-6-methyl-4-(3-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-3-carboxylic acid
CAS Name:5-cyano-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3-carboxylic acid
IUPAC Name:5-cyano-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3-carboxylic acid
Traditional Name:5-cyano-6-methyl-4-(3-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-3-carboxylic acid
Formula: C13H10N4O4S
MolecularWeight: 318.3079
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=S)N1)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C#N


Isomeric SMILES

CC1=C(C(N(C(=S)N1)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C#N


InChI

InChI=1S/C13H10N4O4S/c1-7-10(6-14)11(16(13(18)19)12(22)15-7)8-3-2-4-9(5-8)17(20)21/h2-5,11H,1H3,(H,15,22)(H,18,19)


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