7-[[4-[(4-tert-butylphenyl)methoxy]-2H-indazol-3-yl]methylsulfanyl]-4-methyl-chromen-2-one

Systemtic Name: 7-[[4-[(4-tert-butylphenyl)methoxy]-2H-indazol-3-yl]methylsulfanyl]-4-methyl-chromen-2-one Openeye Name: 7-[[4-[(4-tert-butylphenyl)methoxy]-2H-indazol-3-yl]methylsulfanyl]-4-methyl-chromen-2-one CAS Name: 7-[[4-[(4-tert-butylphenyl)methoxy]-2H-indazol-3-yl]methylthio]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[[4-[(4-tert-butylphenyl)methoxy]-2H-indazol-3-yl]methylsulfanyl]-4-methylchromen-2-one Traditional Name: 7-[[4-(4-tert-butylbenzyl)oxy-2H-indazol-3-yl]methylthio]-4-methyl-coumarin Formula: C29H28N2O3S MolecularWeight: 484.60922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)SCC3=C4C(=NN3)C=CC=C4OCC5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)SCC3=C4C(=NN3)C=CC=C4OCC5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C29H28N2O3S/c1-18-14-27(32)34-26-15-21(12-13-22(18)26)35-17-24-28-23(30-31-24)6-5-7-25(28)33-16-19-8-10-20(11-9-19)29(2,3)4/h5-15H,16-17H2,1-4H3,(H,30,31)