(2R)-2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]pentanedinitrile

Systemtic Name: (2R)-2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]glutaronitrile Formula: C13H10ClN3S2 MolecularWeight: 307.8216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N=C(S2)SCC(CCC#N)C#N

Isomeric SMILES

C1=CC2=C(C=C1Cl)N=C(S2)SC[C@H](CCC#N)C#N

InChI

InChI=1S/C13H10ClN3S2/c14-10-3-4-12-11(6-10)17-13(19-12)18-8-9(7-16)2-1-5-15/h3-4,6,9H,1-2,8H2/t9-/m1/s1