1-[4-[(2S)-butan-2-yl]phenyl]-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 1-[4-[(2S)-butan-2-yl]phenyl]-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-anilino-1-[4-[(1S)-1-methylpropyl]phenyl]-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 3-anilino-1-[4-[(2S)-butan-2-yl]phenyl]-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-anilino-1-[4-[(2S)-butan-2-yl]phenyl]-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-anilino-1-[4-[(1S)-1-methylpropyl]phenyl]-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C24H24N2OS MolecularWeight: 388.52516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)/t18-/m0/s1