3-[2-[(Z)-[1-(2-methylphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2-[(Z)-[1-(2-methylphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-[(Z)-[1-(o-tolyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid CAS Name: 3-[2-[(Z)-[1-(2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-[(Z)-[1-(2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-[(Z)-[4,6-diketo-1-(o-tolyl)-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid Formula: C23H17N3O4S MolecularWeight: 431.46378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CC3=CC=CN3C4=CC=CC(=C4)C(=O)O)C(=O)NC2=S

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)/C(=C\C3=CC=CN3C4=CC=CC(=C4)C(=O)O)/C(=O)NC2=S

InChI

InChI=1S/C23H17N3O4S/c1-14-6-2-3-10-19(14)26-21(28)18(20(27)24-23(26)31)13-17-9-5-11-25(17)16-8-4-7-15(12-16)22(29)30/h2-13H,1H3,(H,29,30)(H,24,27,31)/b18-13-