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

Systemtic Name: 7-tert-butyl-2-[(3-methoxyphenyl)methylsulfanyl]-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 7-tert-butyl-2-[(3-methoxyphenyl)methylsulfanyl]-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 7-tert-butyl-2-[(3-methoxyphenyl)methylthio]-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 7-tert-butyl-2-[(3-methoxyphenyl)methylsulfanyl]-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 7-tert-butyl-2-(m-anisylthio)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C26H28N2OS2 MolecularWeight: 448.64332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)N=C(C(=C2C3=CC=CS3)C#N)SCC4=CC(=CC=C4)OC

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)N=C(C(=C2C3=CC=CS3)C#N)SCC4=CC(=CC=C4)OC

InChI

InChI=1S/C26H28N2OS2/c1-26(2,3)18-10-11-20-22(14-18)28-25(21(15-27)24(20)23-9-6-12-30-23)31-16-17-7-5-8-19(13-17)29-4/h5-9,12-13,18H,10-11,14,16H2,1-4H3