2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-(2-thienyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: 2-[(2-keto-3,3-dimethyl-butyl)thio]-4-(2-thienyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C20H23N2OS2+ MolecularWeight: 371.53942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=[NH+]C2=C(CCCC2)C(=C1C#N)C3=CC=CS3

Isomeric SMILES

CC(C)(C)C(=O)CSC1=[NH+]C2=C(CCCC2)C(=C1C#N)C3=CC=CS3

InChI

InChI=1S/C20H22N2OS2/c1-20(2,3)17(23)12-25-19-14(11-21)18(16-9-6-10-24-16)13-7-4-5-8-15(13)22-19/h6,9-10H,4-5,7-8,12H2,1-3H3/p+1