1,8-bis(azanyl)-3-sulfanylidene-2H-isoquinoline-4,7-dicarbonitrile

Systemtic Name: 1,8-bis(azanyl)-3-sulfanylidene-2H-isoquinoline-4,7-dicarbonitrile Openeye Name: 1,8-diamino-3-thioxo-2H-isoquinoline-4,7-dicarbonitrile CAS Name: 1,8-diamino-3-sulfanylidene-2H-isoquinoline-4,7-dicarbonitrile IUPAC Name: 1,8-diamino-3-sulfanylidene-2H-isoquinoline-4,7-dicarbonitrile Traditional Name: 1,8-diamino-3-thioxo-2H-isoquinoline-4,7-dicarbonitrile Formula: C11H7N5S MolecularWeight: 241.27178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=S)NC(=C2C(=C1C#N)N)N)C#N

Isomeric SMILES

C1=CC2=C(C(=S)NC(=C2C(=C1C#N)N)N)C#N

InChI

InChI=1S/C11H7N5S/c12-3-5-1-2-6-7(4-13)11(17)16-10(15)8(6)9(5)14/h1-2H,14H2,(H3,15,16,17)