(6Z)-4-ethyl-3-oxidanyl-6-[4-(1-propan-2-ylindol-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-propan-2-ylindol-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-isopropylindol-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-propan-2-yl-4-indolyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-4-ethyl-3-hydroxy-6-[4-(1-propan-2-ylindol-4-yl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-4-ethyl-3-hydroxy-6-[4-(1-isopropylindol-4-yl)-5-mercapto-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:

CCC1=CC(=C2C(=C(NN2)S)C3=C4C=CN(C4=CC=C3)C(C)C)C(=O)C=C1O

Isomeric SMILES

CCC1=C/C(=C/2\C(=C(NN2)S)C3=C4C=CN(C4=CC=C3)C(C)C)/C(=O)C=C1O

InChI

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