6-tert-butyl-2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 6-tert-butyl-2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 6-tert-butyl-2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxo-ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 6-tert-butyl-2-[[2-(3,5-dimethyl-1-pyrazolyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 6-tert-butyl-2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 6-tert-butyl-2-[[2-(3,5-dimethylpyrazol-1-yl)-2-keto-ethyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=NC3=C(CC(CC3)C(C)(C)C)C=C2C#N)C

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=NC3=C(CC(CC3)C(C)(C)C)C=C2C#N)C

InChI

InChI=1S/C21H26N4OS/c1-13-8-14(2)25(24-13)19(26)12-27-20-16(11-22)9-15-10-17(21(3,4)5)6-7-18(15)23-20/h8-9,17H,6-7,10,12H2,1-5H3