(2S)-2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: (2S)-2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: (2S)-2-(1,3-benzothiazol-2-yl)-3-oxo-propanenitrile CAS Name: (2S)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile IUPAC Name: (2S)-2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile Traditional Name: (2S)-2-(1,3-benzothiazol-2-yl)-3-keto-propionitrile Formula: C10H6N2OS MolecularWeight: 202.23244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)[C@H](C=O)C#N

InChI

InChI=1S/C10H6N2OS/c11-5-7(6-13)10-12-8-3-1-2-4-9(8)14-10/h1-4,6-7H/t7-/m0/s1