3-azanyl-1,2-benzothiazole-6-carbonitrile

Systemtic Name: 3-azanyl-1,2-benzothiazole-6-carbonitrile Openeye Name: 3-amino-1,2-benzothiazole-6-carbonitrile CAS Name: 3-amino-1,2-benzothiazole-6-carbonitrile IUPAC Name: 3-amino-1,2-benzothiazole-6-carbonitrile Traditional Name: 3-amino-1,2-benzothiazole-6-carbonitrile Formula: C8H5N3S MolecularWeight: 175.2104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C#N)SN=C2N

Isomeric SMILES

C1=CC2=C(C=C1C#N)SN=C2N

InChI

InChI=1S/C8H5N3S/c9-4-5-1-2-6-7(3-5)12-11-8(6)10/h1-3H,(H2,10,11)