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

Systemtic Name: (1E,4E)-1-methylsulfanyl-1-phenylazanyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-one Openeye Name: (1E,4E)-1-anilino-1-methylsulfanyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-one CAS Name: (1E,4E)-1-anilino-1-(methylthio)-5-(2,6,6-trimethyl-1-cyclohexenyl)-3-penta-1,4-dienone IUPAC Name: (1E,4E)-1-anilino-1-methylsulfanyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-one Traditional Name: (1E,4E)-1-anilino-1-(methylthio)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-one Formula: C21H27NOS MolecularWeight: 341.51018

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C21H27NOS/c1-16-9-8-14-21(2,3)19(16)13-12-18(23)15-20(24-4)22-17-10-6-5-7-11-17/h5-7,10-13,15,22H,8-9,14H2,1-4H3/b13-12+,20-15+