2-azanyl-6-methylsulfanyl-4-(phenylmethyl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-methylsulfanyl-4-(phenylmethyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-benzyl-6-methylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-(methylthio)-4-(phenylmethyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-benzyl-6-methylsulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-benzyl-6-(methylthio)pyridin-1-ium-3,5-dicarbonitrile Formula: C15H13N4S+ MolecularWeight: 281.35552

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(C(=[NH+]1)N)C#N)CC2=CC=CC=C2)C#N

Isomeric SMILES

CSC1=C(C(=C(C(=[NH+]1)N)C#N)CC2=CC=CC=C2)C#N

InChI

InChI=1S/C15H12N4S/c1-20-15-13(9-17)11(12(8-16)14(18)19-15)7-10-5-3-2-4-6-10/h2-6H,7H2,1H3,(H2,18,19)/p+1