[3-[(E)-(1-methyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenyl] 4-methylbenzoate

Systemtic Name: [3-[(E)-(1-methyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenyl] 4-methylbenzoate Openeye Name: [3-[(E)-(1-methyl-5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-[(E)-(1-methyl-5-oxo-2-sulfanylidene-4-imidazolidinylidene)methyl]phenyl] ester IUPAC Name: [3-[(E)-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-[(E)-(5-keto-1-methyl-2-thioxo-imidazolidin-4-ylidene)methyl]phenyl] ester Formula: C19H16N2O3S MolecularWeight: 352.40694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=C3C(=O)N(C(=S)N3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)/C=C/3\C(=O)N(C(=S)N3)C

InChI

InChI=1S/C19H16N2O3S/c1-12-6-8-14(9-7-12)18(23)24-15-5-3-4-13(10-15)11-16-17(22)21(2)19(25)20-16/h3-11H,1-2H3,(H,20,25)/b16-11+