(E)-4-(prop-2-enylamino)-3-pyridin-1-ium-1-yl-4-sulfanylidene-but-2-en-2-olate

Systemtic Name: (E)-4-(prop-2-enylamino)-3-pyridin-1-ium-1-yl-4-sulfanylidene-but-2-en-2-olate Openeye Name: (E)-4-(allylamino)-3-pyridin-1-ium-1-yl-4-thioxo-but-2-en-2-olate CAS Name: (E)-4-(prop-2-enylamino)-3-(1-pyridin-1-iumyl)-4-sulfanylidene-2-buten-2-olate IUPAC Name: (E)-4-(prop-2-enylamino)-3-pyridin-1-ium-1-yl-4-sulfanylidenebut-2-en-2-olate Traditional Name: (E)-4-(allylamino)-3-pyridin-1-ium-1-yl-4-thioxo-but-2-en-2-olate Formula: C12H14N2OS MolecularWeight: 234.31736

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=S)NCC=C)[N+]1=CC=CC=C1)[O-]

Isomeric SMILES

C/C(=C(/C(=S)NCC=C)\[N+]1=CC=CC=C1)/[O-]

InChI

InChI=1S/C12H14N2OS/c1-3-7-13-12(16)11(10(2)15)14-8-5-4-6-9-14/h3-6,8-9H,1,7H2,2H3,(H-,13,15,16)