2-azanyl-6-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[(4-tert-butylphenyl)methylthio]-4-phenylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[(4-tert-butylphenyl)methylsulfanyl]-4-phenylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[(4-tert-butylbenzyl)thio]-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C24H23N4S+ MolecularWeight: 399.53122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CC=C3)C#N

InChI

InChI=1S/C24H22N4S/c1-24(2,3)18-11-9-16(10-12-18)15-29-23-20(14-26)21(17-7-5-4-6-8-17)19(13-25)22(27)28-23/h4-12H,15H2,1-3H3,(H2,27,28)/p+1