(6Z)-4-ethyl-3-oxidanyl-6-[4-(1-propylindol-4-yl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-4-ethyl-3-oxidanyl-6-[4-(1-propylindol-4-yl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-4-ethyl-3-hydroxy-6-[4-(1-propylindol-4-yl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-4-ethyl-3-hydroxy-6-[5-mercapto-4-(1-propyl-4-indolyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-4-ethyl-3-hydroxy-6-[4-(1-propylindol-4-yl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-4-ethyl-3-hydroxy-6-[5-mercapto-4-(1-propylindol-4-yl)-3-pyrazolin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CC2=C(C=CC=C21)C3=C(NNC3=C4C=C(C(=CC4=O)O)CC)S

Isomeric SMILES

CCCN1C=CC2=C(C=CC=C21)C\3=C(NN/C3=C\4/C=C(C(=CC4=O)O)CC)S

InChI

InChI=1S/C22H23N3O2S/c1-3-9-25-10-8-14-15(6-5-7-17(14)25)20-21(23-24-22(20)28)16-11-13(4-2)18(26)12-19(16)27/h5-8,10-12,23-24,26,28H,3-4,9H2,1-2H3/b21-16-