2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanenitrile

Systemtic Name: 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanenitrile Openeye Name: 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetonitrile CAS Name: 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetonitrile IUPAC Name: 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetonitrile Traditional Name: 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetonitrile Formula: C9H10N2S MolecularWeight: 178.2541

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)CC#N

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)CC#N

InChI

InChI=1S/C9H10N2S/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-5H2