(2R,4R)-2,4-bis(1,3-benzothiazol-2-yl)pentanedinitrile

Systemtic Name: (2R,4R)-2,4-bis(1,3-benzothiazol-2-yl)pentanedinitrile Openeye Name: (2R,4R)-2,4-bis(1,3-benzothiazol-2-yl)pentanedinitrile CAS Name: (2R,4R)-2,4-bis(1,3-benzothiazol-2-yl)pentanedinitrile IUPAC Name: (2R,4R)-2,4-bis(1,3-benzothiazol-2-yl)pentanedinitrile Traditional Name: (2R,4R)-2,4-bis(1,3-benzothiazol-2-yl)glutaronitrile Formula: C19H12N4S2 MolecularWeight: 360.45538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(CC(C#N)C3=NC4=CC=CC=C4S3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)[C@H](C[C@H](C#N)C3=NC4=CC=CC=C4S3)C#N

InChI

InChI=1S/C19H12N4S2/c20-10-12(18-22-14-5-1-3-7-16(14)24-18)9-13(11-21)19-23-15-6-2-4-8-17(15)25-19/h1-8,12-13H,9H2/t12-,13-/m1/s1