(4E)-4-[[[4-(2-methylpropyl)phenyl]amino]-sulfanyl-methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-[[[4-(2-methylpropyl)phenyl]amino]-sulfanyl-methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-3-hydroxy-4-[(4-isobutylanilino)-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: (4E)-3-hydroxy-4-[mercapto-[4-(2-methylpropyl)anilino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-3-hydroxy-4-[[4-(2-methylpropyl)anilino]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: (4E)-3-hydroxy-4-[(4-isobutylanilino)-mercapto-methylene]cyclohexa-2,5-dien-1-one Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)NC(=C2C=CC(=O)C=C2O)S

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)N/C(=C\2/C=CC(=O)C=C2O)/S

InChI

InChI=1S/C17H19NO2S/c1-11(2)9-12-3-5-13(6-4-12)18-17(21)15-8-7-14(19)10-16(15)20/h3-8,10-11,18,20-21H,9H2,1-2H3/b17-15+