2-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-4-(2-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile CAS Name: 2-[(4-tert-butylphenyl)methylthio]-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Traditional Name: 2-[(4-tert-butylbenzyl)thio]-6-methyl-4-(2-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Formula: C25H28N3S2+ MolecularWeight: 434.63992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C[NH+](CC3)C)C(=C2C#N)C4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C[NH+](CC3)C)C(=C2C#N)C4=CC=CS4

InChI

InChI=1S/C25H27N3S2/c1-25(2,3)18-9-7-17(8-10-18)16-30-24-19(14-26)23(22-6-5-13-29-22)20-15-28(4)12-11-21(20)27-24/h5-10,13H,11-12,15-16H2,1-4H3/p+1