2-azanyl-6-ethylsulfanyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-ethylsulfanyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-ethylsulfanyl-4-(4-isopropylphenyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-(ethylthio)-4-(4-propan-2-ylphenyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-ethylsulfanyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(ethylthio)-4-p-cumenyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C18H19N4S+ MolecularWeight: 323.43526

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)C(C)C)C#N

Isomeric SMILES

CCSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)C(C)C)C#N

InChI

InChI=1S/C18H18N4S/c1-4-23-18-15(10-20)16(14(9-19)17(21)22-18)13-7-5-12(6-8-13)11(2)3/h5-8,11H,4H2,1-3H3,(H2,21,22)/p+1