3-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]propanenitrile

Systemtic Name: 3-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]propanenitrile Openeye Name: 3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]propanenitrile CAS Name: 3-[(5-chloro-1,3-benzothiazol-2-yl)thio]propanenitrile IUPAC Name: 3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]propanenitrile Traditional Name: 3-[(5-chloro-1,3-benzothiazol-2-yl)thio]propionitrile Formula: C10H7ClN2S2 MolecularWeight: 254.75898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N=C(S2)SCCC#N

Isomeric SMILES

C1=CC2=C(C=C1Cl)N=C(S2)SCCC#N

InChI

InChI=1S/C10H7ClN2S2/c11-7-2-3-9-8(6-7)13-10(15-9)14-5-1-4-12/h2-3,6H,1,5H2