[2-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenyl] 4-methylbenzoate

Systemtic Name: [2-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenyl] 4-methylbenzoate Openeye Name: [2-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl] ester IUPAC Name: [2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenyl] ester Formula: C19H14N2O4S MolecularWeight: 366.39046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C19H14N2O4S/c1-11-6-8-12(9-7-11)18(24)25-15-5-3-2-4-13(15)10-14-16(22)20-19(26)21-17(14)23/h2-10H,1H3,(H2,20,21,22,23,26)