5-(1,3-benzothiazol-2-yl)pentanenitrile

Systemtic Name: 5-(1,3-benzothiazol-2-yl)pentanenitrile Openeye Name: 5-(1,3-benzothiazol-2-yl)pentanenitrile CAS Name: 5-(1,3-benzothiazol-2-yl)pentanenitrile IUPAC Name: 5-(1,3-benzothiazol-2-yl)pentanenitrile Traditional Name: 5-(1,3-benzothiazol-2-yl)valeronitrile Formula: C12H12N2S MolecularWeight: 216.30208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCCC#N

InChI

InChI=1S/C12H12N2S/c13-9-5-1-2-8-12-14-10-6-3-4-7-11(10)15-12/h3-4,6-7H,1-2,5,8H2