1-bromanyl-2-methyl-benzene; 3,3-dimethyl-5-(4-sulfanylbutoxy)-1H-indol-2-one

Systemtic Name: 1-bromanyl-2-methyl-benzene; 3,3-dimethyl-5-(4-sulfanylbutoxy)-1H-indol-2-one Openeye Name: 1-bromo-2-methyl-benzene; 3,3-dimethyl-5-(4-sulfanylbutoxy)indolin-2-one CAS Name: 1-bromo-2-methylbenzene; 5-(4-mercaptobutoxy)-3,3-dimethyl-1H-indol-2-one IUPAC Name: 1-bromo-2-methylbenzene; 3,3-dimethyl-5-(4-sulfanylbutoxy)-1H-indol-2-one Traditional Name: 1-bromo-2-methyl-benzene; 5-(4-mercaptobutoxy)-3,3-dimethyl-oxindole Formula: C21H26BrNO2S MolecularWeight: 436.40564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1Br.CC1(C2=C(C=CC(=C2)OCCCCS)NC1=O)C

Isomeric SMILES

CC1=CC=CC=C1Br.CC1(C2=C(C=CC(=C2)OCCCCS)NC1=O)C

InChI

InChI=1S/C14H19NO2S.C7H7Br/c1-14(2)11-9-10(17-7-3-4-8-18)5-6-12(11)15-13(14)16;1-6-4-2-3-5-7(6)8/h5-6,9,18H,3-4,7-8H2,1-2H3,(H,15,16);2-5H,1H3