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

Systemtic Name: [4-[(E)-(5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenyl] 3-methylbenzoate Openeye Name: [4-[(E)-(5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(E)-(5-oxo-2-sulfanylidene-4-imidazolidinylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(E)-(5-keto-2-thioxo-imidazolidin-4-ylidene)methyl]phenyl] ester Formula: C18H14N2O3S MolecularWeight: 338.38036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O3S/c1-11-3-2-4-13(9-11)17(22)23-14-7-5-12(6-8-14)10-15-16(21)20-18(24)19-15/h2-10H,1H3,(H2,19,20,21,24)/b15-10+