1,3-benzothiazol-4-ylmethanethiol

Systemtic Name: 1,3-benzothiazol-4-ylmethanethiol Openeye Name: 1,3-benzothiazol-4-ylmethanethiol CAS Name: 1,3-benzothiazol-4-ylmethanethiol IUPAC Name: 1,3-benzothiazol-4-ylmethanethiol Traditional Name: 1,3-benzothiazol-4-ylmethanethiol Formula: C8H7NS2 MolecularWeight: 181.27788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)SC=N2)CS

Isomeric SMILES

C1=CC(=C2C(=C1)SC=N2)CS

InChI

InChI=1S/C8H7NS2/c10-4-6-2-1-3-7-8(6)9-5-11-7/h1-3,5,10H,4H2