3-[(2E)-3,3-dimethyl-2-(4-methyl-6-sulfanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-indol-5-yl]-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 3-[(2E)-3,3-dimethyl-2-(4-methyl-6-sulfanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-indol-5-yl]-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[(2E)-3,3-dimethyl-2-(4-methyl-6-thioxo-cyclohexa-2,4-dien-1-ylidene)indolin-5-yl]-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[(2E)-3,3-dimethyl-2-(4-methyl-6-sulfanylidene-1-cyclohexa-2,4-dienylidene)-1H-indol-5-yl]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[(2E)-3,3-dimethyl-2-(4-methyl-6-sulfanylidenecyclohexa-2,4-dien-1-ylidene)-1H-indol-5-yl]-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[(2E)-3,3-dimethyl-2-(4-methyl-6-thioxo-cyclohexa-2,4-dien-1-ylidene)indolin-5-yl]-4,5-dihydro-1H-pyridazin-6-one Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=S)C(=C2C(C3=C(N2)C=CC(=C3)C4=NNC(=O)CC4)(C)C)C=C1

Isomeric SMILES

CC1=CC(=S)/C(=C/2\C(C3=C(N2)C=CC(=C3)C4=NNC(=O)CC4)(C)C)/C=C1

InChI

InChI=1S/C21H21N3OS/c1-12-4-6-14(18(26)10-12)20-21(2,3)15-11-13(5-7-17(15)22-20)16-8-9-19(25)24-23-16/h4-7,10-11,22H,8-9H2,1-3H3,(H,24,25)/b20-14+