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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NC2=C(S1)C=CC(=C2)Cl

Isomeric SMILES

CC(C#N)SC1=NC2=C(S1)C=CC(=C2)Cl

InChI

InChI=1S/C10H7ClN2S2/c1-6(5-12)14-10-13-8-4-7(11)2-3-9(8)15-10/h2-4,6H,1H3