(E)-4-[(4-chlorophenyl)amino]-4-oxidanyl-3-(phenylmethylsulfanyl)but-3-en-2-one

Systemtic Name: (E)-4-[(4-chlorophenyl)amino]-4-oxidanyl-3-(phenylmethylsulfanyl)but-3-en-2-one Openeye Name: (E)-3-benzylsulfanyl-4-(4-chloroanilino)-4-hydroxy-but-3-en-2-one CAS Name: (E)-4-(4-chloroanilino)-4-hydroxy-3-(phenylmethylthio)-3-buten-2-one IUPAC Name: (E)-3-benzylsulfanyl-4-(4-chloroanilino)-4-hydroxybut-3-en-2-one Traditional Name: (E)-3-(benzylthio)-4-(4-chloroanilino)-4-hydroxy-but-3-en-2-one Formula: C17H16ClNO2S MolecularWeight: 333.83244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(NC1=CC=C(C=C1)Cl)O)SCC2=CC=CC=C2

Isomeric SMILES

CC(=O)/C(=C(/NC1=CC=C(C=C1)Cl)\O)/SCC2=CC=CC=C2

InChI

InChI=1S/C17H16ClNO2S/c1-12(20)16(22-11-13-5-3-2-4-6-13)17(21)19-15-9-7-14(18)8-10-15/h2-10,19,21H,11H2,1H3/b17-16+