(Z)-1-phenyl-3-phenylazanyl-3-(phenylmethylsulfanyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one

Systemtic Name: (Z)-1-phenyl-3-phenylazanyl-3-(phenylmethylsulfanyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Openeye Name: (Z)-3-anilino-3-benzylsulfanyl-1-phenyl-2-pyridin-1-ium-1-yl-prop-2-en-1-one CAS Name: (Z)-3-anilino-1-phenyl-3-(phenylmethylthio)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: (Z)-3-anilino-3-benzylsulfanyl-1-phenyl-2-pyridin-1-ium-1-ylprop-2-en-1-one Traditional Name: (Z)-3-anilino-3-(benzylthio)-1-phenyl-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C27H23N2OS+ MolecularWeight: 423.54932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=C(C(=O)C2=CC=CC=C2)[N+]3=CC=CC=C3)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CS/C(=C(/C(=O)C2=CC=CC=C2)\[N+]3=CC=CC=C3)/NC4=CC=CC=C4

InChI

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