6-azanyl-5-(1,3-benzothiazol-3-ium-2-yl)-2-[(R)-1,3-benzothiazol-2-yl(cyano)methyl]pyridine-3-carbonitrile

Systemtic Name: 6-azanyl-5-(1,3-benzothiazol-3-ium-2-yl)-2-[(R)-1,3-benzothiazol-2-yl(cyano)methyl]pyridine-3-carbonitrile Openeye Name: 6-amino-5-(1,3-benzothiazol-3-ium-2-yl)-2-[(R)-1,3-benzothiazol-2-yl(cyano)methyl]pyridine-3-carbonitrile CAS Name: 6-amino-5-(1,3-benzothiazol-3-ium-2-yl)-2-[(R)-1,3-benzothiazol-2-yl(cyano)methyl]-3-pyridinecarbonitrile IUPAC Name: 6-amino-5-(1,3-benzothiazol-3-ium-2-yl)-2-[(R)-1,3-benzothiazol-2-yl(cyano)methyl]pyridine-3-carbonitrile Traditional Name: 6-amino-5-(1,3-benzothiazol-3-ium-2-yl)-2-[(R)-1,3-benzothiazol-2-yl(cyano)methyl]nicotinonitrile Formula: C22H13N6S2+ MolecularWeight: 425.50882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[NH+]=C(S2)C3=C(N=C(C(=C3)C#N)C(C#N)C4=NC5=CC=CC=C5S4)N

Isomeric SMILES

C1=CC=C2C(=C1)[NH+]=C(S2)C3=C(N=C(C(=C3)C#N)[C@H](C#N)C4=NC5=CC=CC=C5S4)N

InChI

InChI=1S/C22H12N6S2/c23-10-12-9-13(21-26-15-5-1-3-7-17(15)29-21)20(25)28-19(12)14(11-24)22-27-16-6-2-4-8-18(16)30-22/h1-9,14H,(H2,25,28)/p+1/t14-/m0/s1