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

Systemtic Name: 4-[(6-tert-butyl-5-sulfanyl-2,3-dihydroindol-1-yl)sulfonyl]benzenecarbonitrile Openeye Name: 4-(6-tert-butyl-5-sulfanyl-indolin-1-yl)sulfonylbenzonitrile CAS Name: 4-[(6-tert-butyl-5-mercapto-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile IUPAC Name: 4-[(6-tert-butyl-5-sulfanyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile Traditional Name: 4-(6-tert-butyl-5-mercapto-indolin-1-yl)sulfonylbenzonitrile Formula: C19H20N2O2S2 MolecularWeight: 372.5043

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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)S

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O2S2/c1-19(2,3)16-11-17-14(10-18(16)24)8-9-21(17)25(22,23)15-6-4-13(12-20)5-7-15/h4-7,10-11,24H,8-9H2,1-3H3