2-azanyl-6-[(R)-1,3-benzothiazol-2-yl(cyano)methyl]-4-(4-nitrophenyl)pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[(R)-1,3-benzothiazol-2-yl(cyano)methyl]-4-(4-nitrophenyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-[(R)-1,3-benzothiazol-2-yl(cyano)methyl]-4-(4-nitrophenyl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-[(R)-1,3-benzothiazol-2-yl(cyano)methyl]-4-(4-nitrophenyl)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[(R)-1,3-benzothiazol-2-yl(cyano)methyl]-4-(4-nitrophenyl)pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[(R)-1,3-benzothiazol-2-yl(cyano)methyl]-4-(4-nitrophenyl)dinicotinonitrile Formula: C22H11N7O2S MolecularWeight: 437.43344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=C(C(=C3C#N)C4=CC=C(C=C4)[N+](=O)[O-])C#N)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)[C@@H](C#N)C3=NC(=C(C(=C3C#N)C4=CC=C(C=C4)[N+](=O)[O-])C#N)N

InChI

InChI=1S/C22H11N7O2S/c23-9-14-19(12-5-7-13(8-6-12)29(30)31)15(10-24)21(26)28-20(14)16(11-25)22-27-17-3-1-2-4-18(17)32-22/h1-8,16H,(H2,26,28)/t16-/m0/s1