4-[7-(4-methylsulfanylphenyl)-1-propan-2-yl-2H-indazol-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[7-(4-methylsulfanylphenyl)-1-propan-2-yl-2H-indazol-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[1-isopropyl-7-(4-methylsulfanylphenyl)-2H-indazol-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[7-[4-(methylthio)phenyl]-1-propan-2-yl-2H-indazol-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[7-(4-methylsulfanylphenyl)-1-propan-2-yl-2H-indazol-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[1-isopropyl-7-[4-(methylthio)phenyl]indazolin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C23H22N2OS MolecularWeight: 374.49858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=CC=C2C(=C3C=CC(=O)C=C3)N1)C4=CC=C(C=C4)SC

Isomeric SMILES

CC(C)N1C2=C(C=CC=C2C(=C3C=CC(=O)C=C3)N1)C4=CC=C(C=C4)SC

InChI

InChI=1S/C23H22N2OS/c1-15(2)25-23-20(16-9-13-19(27-3)14-10-16)5-4-6-21(23)22(24-25)17-7-11-18(26)12-8-17/h4-15,24H,1-3H3