(1Z,4E)-1-phenylazanyl-1-sulfanyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-one

Systemtic Name: (1Z,4E)-1-phenylazanyl-1-sulfanyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-one Openeye Name: (1Z,4E)-1-anilino-1-sulfanyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-one CAS Name: (1Z,4E)-1-anilino-1-mercapto-5-(2,6,6-trimethyl-1-cyclohexenyl)-3-penta-1,4-dienone IUPAC Name: (1Z,4E)-1-anilino-1-sulfanyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-one Traditional Name: (1Z,4E)-1-anilino-1-mercapto-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-one Formula: C20H25NOS MolecularWeight: 327.4836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC(=O)C=C(NC2=CC=CC=C2)S

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=O)/C=C(/NC2=CC=CC=C2)\S

InChI

InChI=1S/C20H25NOS/c1-15-8-7-13-20(2,3)18(15)12-11-17(22)14-19(23)21-16-9-5-4-6-10-16/h4-6,9-12,14,21,23H,7-8,13H2,1-3H3/b12-11+,19-14-