(4Z)-4-[[(4-butan-2-ylphenyl)amino]-sulfanyl-methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4Z)-4-[[(4-butan-2-ylphenyl)amino]-sulfanyl-methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-3-hydroxy-4-[(4-sec-butylanilino)-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: (4Z)-4-[(4-butan-2-ylanilino)-mercaptomethylidene]-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-4-[(4-butan-2-ylanilino)-sulfanylmethylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: (4Z)-3-hydroxy-4-[mercapto-(4-sec-butylanilino)methylene]cyclohexa-2,5-dien-1-one Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO2S/c1-3-11(2)12-4-6-13(7-5-12)18-17(21)15-9-8-14(19)10-16(15)20/h4-11,18,20-21H,3H2,1-2H3/b17-15-