2-azanyl-4-(3-chlorophenyl)-6-prop-2-ynylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(3-chlorophenyl)-6-prop-2-ynylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(3-chlorophenyl)-6-prop-2-ynylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(3-chlorophenyl)-6-(prop-2-ynylthio)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(3-chlorophenyl)-6-prop-2-ynylsulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(3-chlorophenyl)-6-(propargylthio)pyridin-1-ium-3,5-dicarbonitrile Formula: C16H10ClN4S+ MolecularWeight: 325.7954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9ClN4S/c1-2-6-22-16-13(9-19)14(12(8-18)15(20)21-16)10-4-3-5-11(17)7-10/h1,3-5,7H,6H2,(H2,20,21)/p+1