2-(1,3-benzothiazol-2-ylsulfonyl)ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfonyl)ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfonyl)acetonitrile CAS Name: 2-(1,3-benzothiazol-2-ylsulfonyl)acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfonyl)acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-ylsulfonyl)acetonitrile Formula: C9H6N2O2S2 MolecularWeight: 238.28614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)CC#N

InChI

InChI=1S/C9H6N2O2S2/c10-5-6-15(12,13)9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2