2-[(4-tert-butylphenyl)methylsulfanyl]-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[(4-tert-butylphenyl)methylthio]-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[(4-tert-butylbenzyl)thio]-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C25H26N2S2 MolecularWeight: 418.61734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(CCCC3)C(=C2C#N)C4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(CCCC3)C(=C2C#N)C4=CC=CS4

InChI

InChI=1S/C25H26N2S2/c1-25(2,3)18-12-10-17(11-13-18)16-29-24-20(15-26)23(22-9-6-14-28-22)19-7-4-5-8-21(19)27-24/h6,9-14H,4-5,7-8,16H2,1-3H3