4-(2,1,3-benzoxadiazol-4-yl)-6-methyl-3-prop-2-enyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 4-(2,1,3-benzoxadiazol-4-yl)-6-methyl-3-prop-2-enyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 3-allyl-4-(2,1,3-benzoxadiazol-4-yl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 4-(2,1,3-benzoxadiazol-4-yl)-6-methyl-3-prop-2-enyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 4-(2,1,3-benzoxadiazol-4-yl)-6-methyl-3-prop-2-enyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 3-allyl-4-benzofurazan-4-yl-6-methyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=S)N1)CC=C)C2=CC=CC3=NON=C32)C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=S)N1)CC=C)C2=CC=CC3=NON=C32)C(=O)O

InChI

InChI=1S/C15H14N4O3S/c1-3-7-19-13(11(14(20)21)8(2)16-15(19)23)9-5-4-6-10-12(9)18-22-17-10/h3-6,13H,1,7H2,2H3,(H,16,23)(H,20,21)