(E)-1-(4-methylphenyl)-3-[(2-methyl-5-sulfanyl-phenyl)amino]but-2-en-1-one

Systemtic Name: (E)-1-(4-methylphenyl)-3-[(2-methyl-5-sulfanyl-phenyl)amino]but-2-en-1-one Openeye Name: (E)-3-(2-methyl-5-sulfanyl-anilino)-1-(p-tolyl)but-2-en-1-one CAS Name: (E)-3-(5-mercapto-2-methylanilino)-1-(4-methylphenyl)-2-buten-1-one IUPAC Name: (E)-1-(4-methylphenyl)-3-(2-methyl-5-sulfanylanilino)but-2-en-1-one Traditional Name: (E)-3-(5-mercapto-2-methyl-anilino)-1-(p-tolyl)but-2-en-1-one Formula: C18H19NOS MolecularWeight: 297.41456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C=C(C)NC2=C(C=CC(=C2)S)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C=C(\C)/NC2=C(C=CC(=C2)S)C

InChI

InChI=1S/C18H19NOS/c1-12-4-7-15(8-5-12)18(20)10-14(3)19-17-11-16(21)9-6-13(17)2/h4-11,19,21H,1-3H3/b14-10+