4-[[6-tert-butyl-5-(oxidanyldisulfanyl)-2,3-dihydroindol-1-yl]sulfonyl]benzenecarbonitrile

Systemtic Name: 4-[[6-tert-butyl-5-(oxidanyldisulfanyl)-2,3-dihydroindol-1-yl]sulfonyl]benzenecarbonitrile Openeye Name: 4-[6-tert-butyl-5-(hydroxydisulfanyl)indolin-1-yl]sulfonylbenzonitrile CAS Name: 6-tert-butyl-1-(4-cyanophenyl)sulfonyl-5-(hydroxydisulfanyl)-2,3-dihydroindole IUPAC Name: 4-[[6-tert-butyl-5-(hydroxydisulfanyl)-2,3-dihydroindol-1-yl]sulfonyl]benzonitrile Traditional Name: 4-[6-tert-butyl-5-(hydroxydisulfanyl)indolin-1-yl]sulfonylbenzonitrile Formula: C19H20N2O3S3 MolecularWeight: 420.5687

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C2CCN(C2=C1)S(=O)(=O)C3=CC=C(C=C3)C#N)SSO

Isomeric SMILES

CC(C)(C)C1=C(C=C2CCN(C2=C1)S(=O)(=O)C3=CC=C(C=C3)C#N)SSO

InChI

InChI=1S/C19H20N2O3S3/c1-19(2,3)16-11-17-14(10-18(16)25-26-22)8-9-21(17)27(23,24)15-6-4-13(12-20)5-7-15/h4-7,10-11,22H,8-9H2,1-3H3