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

Systemtic Name: (E)-3-[(phenylmethyl)amino]-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(benzylamino)-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-[(phenylmethyl)amino]-1-(4-phenylphenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(benzylamino)-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(benzylamino)-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C27H22N2OS MolecularWeight: 422.54138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)C(=C(C2=CC=C(C=C2)C3=CC=CC=C3)[O-])[N+]4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)/C(=C(/C2=CC=C(C=C2)C3=CC=CC=C3)\[O-])/[N+]4=CC=CC=C4

InChI

InChI=1S/C27H22N2OS/c30-26(24-16-14-23(15-17-24)22-12-6-2-7-13-22)25(29-18-8-3-9-19-29)27(31)28-20-21-10-4-1-5-11-21/h1-19H,20H2,(H-,28,30,31)