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

Systemtic Name: 2-azanyl-4-(4-hydroxyphenyl)-6-prop-2-ynylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-hydroxyphenyl)-6-prop-2-ynylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-hydroxyphenyl)-6-(prop-2-ynylthio)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-hydroxyphenyl)-6-prop-2-ynylsulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(4-hydroxyphenyl)-6-(propargylthio)pyridin-1-ium-3,5-dicarbonitrile Formula: C16H11N4OS+ MolecularWeight: 307.34974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10N4OS/c1-2-7-22-16-13(9-18)14(12(8-17)15(19)20-16)10-3-5-11(21)6-4-10/h1,3-6,21H,7H2,(H2,19,20)/p+1