3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanenitrile

Systemtic Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanenitrile Openeye Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-isopropyl-indol-2-yl]-2,2-dimethyl-propanenitrile CAS Name: 3-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-propan-2-yl-2-indolyl]-2,2-dimethylpropanenitrile IUPAC Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanenitrile Traditional Name: 3-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-isopropyl-indol-2-yl]-2,2-dimethyl-propionitrile Formula: C27H33ClN2S MolecularWeight: 453.08232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C#N)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C#N)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C27H33ClN2S/c1-18(2)20-10-13-23-22(14-20)25(31-26(3,4)5)24(15-27(6,7)17-29)30(23)16-19-8-11-21(28)12-9-19/h8-14,18H,15-16H2,1-7H3