(6E)-2-(aminomethyl)-6-[(4-methylphenyl)-sulfanyl-methylidene]-4-phenyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-2-(aminomethyl)-6-[(4-methylphenyl)-sulfanyl-methylidene]-4-phenyl-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-2-(aminomethyl)-4-phenyl-6-[p-tolyl(sulfanyl)methylene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-2-(aminomethyl)-6-[mercapto-(4-methylphenyl)methylidene]-4-phenyl-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-2-(aminomethyl)-6-[(4-methylphenyl)-sulfanylmethylidene]-4-phenylcyclohexa-2,4-dien-1-one Traditional Name: (6E)-2-(aminomethyl)-6-[mercapto(p-tolyl)methylene]-4-phenyl-cyclohexa-2,4-dien-1-one Formula: C21H19NOS MolecularWeight: 333.44666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C2C=C(C=C(C2=O)CN)C3=CC=CC=C3)S

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C\2/C=C(C=C(C2=O)CN)C3=CC=CC=C3)/S

InChI

InChI=1S/C21H19NOS/c1-14-7-9-16(10-8-14)21(24)19-12-17(11-18(13-22)20(19)23)15-5-3-2-4-6-15/h2-12,24H,13,22H2,1H3/b21-19+