2-azanyl-6-(2-methylpropylsulfanyl)-4-thiophen-2-yl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(2-methylpropylsulfanyl)-4-thiophen-2-yl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-isobutylsulfanyl-4-(2-thienyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-(2-methylpropylthio)-4-thiophen-2-ylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(2-methylpropylsulfanyl)-4-thiophen-2-ylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(isobutylthio)-4-(2-thienyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C15H15N4S2+ MolecularWeight: 315.4364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CS2)C#N

Isomeric SMILES

CC(C)CSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CS2)C#N

InChI

InChI=1S/C15H14N4S2/c1-9(2)8-21-15-11(7-17)13(12-4-3-5-20-12)10(6-16)14(18)19-15/h3-5,9H,8H2,1-2H3,(H2,18,19)/p+1