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

Systemtic Name: (6Z)-4-ethyl-6-[4-(1-ethylindol-4-yl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-4-ethyl-6-[4-(1-ethylindol-4-yl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-cyclohexa-2,4-dien-1-one CAS Name: (6Z)-4-ethyl-6-[4-(1-ethyl-4-indolyl)-5-mercapto-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-4-ethyl-6-[4-(1-ethylindol-4-yl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]-3-hydroxycyclohexa-2,4-dien-1-one Traditional Name: (6Z)-4-ethyl-6-[4-(1-ethylindol-4-yl)-5-mercapto-3-pyrazolin-3-ylidene]-3-hydroxy-cyclohexa-2,4-dien-1-one Formula: C21H21N3O2S MolecularWeight: 379.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S/c1-3-12-10-15(18(26)11-17(12)25)20-19(21(27)23-22-20)14-6-5-7-16-13(14)8-9-24(16)4-2/h5-11,22-23,25,27H,3-4H2,1-2H3/b20-15-