2,6-bis(azanyl)-4-quinolin-1-ium-4-yl-4H-thiopyran-3,5-dicarbonitrile

Systemtic Name: 2,6-bis(azanyl)-4-quinolin-1-ium-4-yl-4H-thiopyran-3,5-dicarbonitrile Openeye Name: 2,6-diamino-4-quinolin-1-ium-4-yl-4H-thiopyran-3,5-dicarbonitrile CAS Name: 2,6-diamino-4-(4-quinolin-1-iumyl)-4H-thiopyran-3,5-dicarbonitrile IUPAC Name: 2,6-diamino-4-quinolin-1-ium-4-yl-4H-thiopyran-3,5-dicarbonitrile Traditional Name: 2,6-diamino-4-quinolin-1-ium-4-yl-4H-thiopyran-3,5-dicarbonitrile Formula: C16H12N5S+ MolecularWeight: 306.36498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=[NH+]2)C3C(=C(SC(=C3C#N)N)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=[NH+]2)C3C(=C(SC(=C3C#N)N)N)C#N

InChI

InChI=1S/C16H11N5S/c17-7-11-14(12(8-18)16(20)22-15(11)19)10-5-6-21-13-4-2-1-3-9(10)13/h1-6,14H,19-20H2/p+1