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

Systemtic Name: (4Z)-3-oxidanyl-4-[4-(1-propan-2-ylindol-4-yl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-3-hydroxy-4-[4-(1-isopropylindol-4-yl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: (4Z)-3-hydroxy-4-[5-mercapto-4-(1-propan-2-yl-4-indolyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-3-hydroxy-4-[4-(1-propan-2-ylindol-4-yl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: (4Z)-3-hydroxy-4-[4-(1-isopropylindol-4-yl)-5-mercapto-3-pyrazolin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=CC2=C(C=CC=C21)C3=C(NNC3=C4C=CC(=O)C=C4O)S

Isomeric SMILES

CC(C)N1C=CC2=C(C=CC=C21)C\3=C(NN/C3=C\4/C=CC(=O)C=C4O)S

InChI

InChI=1S/C20H19N3O2S/c1-11(2)23-9-8-13-14(4-3-5-16(13)23)18-19(21-22-20(18)26)15-7-6-12(24)10-17(15)25/h3-11,21-22,25-26H,1-2H3/b19-15-