(E)-1-(4-methyl-3-nitro-phenyl)-3-[(phenylmethyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-(4-methyl-3-nitro-phenyl)-3-[(phenylmethyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(benzylamino)-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(4-methyl-3-nitrophenyl)-3-[(phenylmethyl)amino]-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(benzylamino)-1-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(benzylamino)-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=C(C(=S)NCC2=CC=CC=C2)[N+]3=CC=CC=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C(=C(/C(=S)NCC2=CC=CC=C2)\[N+]3=CC=CC=C3)/[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O3S/c1-16-10-11-18(14-19(16)25(27)28)21(26)20(24-12-6-3-7-13-24)22(29)23-15-17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H-,23,26,29)