2-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]-3-(quinolin-1-ium-6-ylamino)prop-2-enenitrile

Systemtic Name: 2-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]-3-(quinolin-1-ium-6-ylamino)prop-2-enenitrile Openeye Name: 2-[4-(2-oxochromen-3-yl)thiazol-2-yl]-3-(quinolin-1-ium-6-ylamino)prop-2-enenitrile CAS Name: 2-[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-3-(6-quinolin-1-iumylamino)-2-propenenitrile IUPAC Name: 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(quinolin-1-ium-6-ylamino)prop-2-enenitrile Traditional Name: 2-[4-(2-ketochromen-3-yl)thiazol-2-yl]-3-(quinolin-1-ium-6-ylamino)acrylonitrile Formula: C24H15N4O2S+ MolecularWeight: 423.4665

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=CNC4=CC5=C(C=C4)[NH+]=CC=C5)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=CNC4=CC5=C(C=C4)[NH+]=CC=C5)C#N

InChI

InChI=1S/C24H14N4O2S/c25-12-17(13-27-18-7-8-20-15(10-18)5-3-9-26-20)23-28-21(14-31-23)19-11-16-4-1-2-6-22(16)30-24(19)29/h1-11,13-14,27H/p+1