2-azanyl-6-tert-butyl-4-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-6-tert-butyl-4-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-6-tert-butyl-4-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-6-tert-butyl-4-[4-(methylthio)phenyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-6-tert-butyl-4-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-6-tert-butyl-4-[4-(methylthio)phenyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H25N3S MolecularWeight: 351.5083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H25N3S/c1-21(2,3)14-7-10-18-16(11-14)19(17(12-22)20(23)24-18)13-5-8-15(25-4)9-6-13/h5-6,8-9,14H,7,10-11H2,1-4H3,(H2,23,24)