(Z)-1-[4-[(2S)-butan-2-yl]phenyl]-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: (Z)-1-[4-[(2S)-butan-2-yl]phenyl]-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: (Z)-3-anilino-1-[4-[(1S)-1-methylpropyl]phenyl]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: (Z)-3-anilino-1-[4-[(2S)-butan-2-yl]phenyl]-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: (Z)-3-anilino-1-[4-[(2S)-butan-2-yl]phenyl]-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: (Z)-3-anilino-3-mercapto-1-[4-[(1S)-1-methylpropyl]phenyl]-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C24H25N2OS+ MolecularWeight: 389.5331

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)C(=C(NC2=CC=CC=C2)S)[N+]3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C(=O)/C(=C(\NC2=CC=CC=C2)/S)/[N+]3=CC=CC=C3

InChI

InChI=1S/C24H24N2OS/c1-3-18(2)19-12-14-20(15-13-19)23(27)22(26-16-8-5-9-17-26)24(28)25-21-10-6-4-7-11-21/h4-18H,3H2,1-2H3,(H-,25,27,28)/p+1/t18-/m0/s1