2-(5-methyl-1,2-benzothiazol-3-yl)ethanenitrile

Systemtic Name: 2-(5-methyl-1,2-benzothiazol-3-yl)ethanenitrile Openeye Name: 2-(5-methyl-1,2-benzothiazol-3-yl)acetonitrile CAS Name: 2-(5-methyl-1,2-benzothiazol-3-yl)acetonitrile IUPAC Name: 2-(5-methyl-1,2-benzothiazol-3-yl)acetonitrile Traditional Name: 2-(5-methyl-1,2-benzothiazol-3-yl)acetonitrile Formula: C10H8N2S MolecularWeight: 188.24892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SN=C2CC#N

Isomeric SMILES

CC1=CC2=C(C=C1)SN=C2CC#N

InChI

InChI=1S/C10H8N2S/c1-7-2-3-10-8(6-7)9(4-5-11)12-13-10/h2-3,6H,4H2,1H3