2-[(2-ethanoylphenyl)amino]-5-(4-methylphenyl)sulfanyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-[(2-ethanoylphenyl)amino]-5-(4-methylphenyl)sulfanyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-(2-acetylanilino)-5-(p-tolylsulfanyl)-1,4-benzoquinone CAS Name: 2-(2-acetylanilino)-5-[(4-methylphenyl)thio]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-(2-acetylanilino)-5-(4-methylphenyl)sulfanylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(2-acetylanilino)-5-(p-tolylthio)-p-benzoquinone Formula: C21H17NO3S MolecularWeight: 363.42958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=O)C(=CC2=O)NC3=CC=CC=C3C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=O)C(=CC2=O)NC3=CC=CC=C3C(=O)C

InChI

InChI=1S/C21H17NO3S/c1-13-7-9-15(10-8-13)26-21-12-19(24)18(11-20(21)25)22-17-6-4-3-5-16(17)14(2)23/h3-12,22H,1-2H3