2-[(2-azanyl-1,3-benzothiazol-6-yl)sulfonyl]propanenitrile

Systemtic Name: 2-[(2-azanyl-1,3-benzothiazol-6-yl)sulfonyl]propanenitrile Openeye Name: 2-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl]propanenitrile CAS Name: 2-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl]propanenitrile IUPAC Name: 2-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl]propanenitrile Traditional Name: 2-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl]propionitrile Formula: C10H9N3O2S2 MolecularWeight: 267.32736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N

Isomeric SMILES

CC(C#N)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N

InChI

InChI=1S/C10H9N3O2S2/c1-6(5-11)17(14,15)7-2-3-8-9(4-7)16-10(12)13-8/h2-4,6H,1H3,(H2,12,13)