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

Systemtic Name: (Z)-1-phenyl-3-(phenylmethylsulfanyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Openeye Name: (Z)-3-(allylamino)-3-benzylsulfanyl-1-phenyl-2-pyridin-1-ium-1-yl-prop-2-en-1-one CAS Name: (Z)-1-phenyl-3-(phenylmethylthio)-3-(prop-2-enylamino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: (Z)-3-benzylsulfanyl-1-phenyl-3-(prop-2-enylamino)-2-pyridin-1-ium-1-ylprop-2-en-1-one Traditional Name: (Z)-3-(allylamino)-3-(benzylthio)-1-phenyl-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C24H23N2OS+ MolecularWeight: 387.51722

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=C(C(=O)C1=CC=CC=C1)[N+]2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

C=CCN/C(=C(\C(=O)C1=CC=CC=C1)/[N+]2=CC=CC=C2)/SCC3=CC=CC=C3

InChI

InChI=1S/C24H22N2OS/c1-2-16-25-24(28-19-20-12-6-3-7-13-20)22(26-17-10-5-11-18-26)23(27)21-14-8-4-9-15-21/h2-15,17-18H,1,16,19H2/p+1