1,3-benzothiazole; 2H-benzotriazole

Systemtic Name: 1,3-benzothiazole; 2H-benzotriazole Openeye Name: 1,3-benzothiazole; 2H-benzotriazole CAS Name: 1,3-benzothiazole; 2H-benzotriazole IUPAC Name: 1,3-benzothiazole; 2H-benzotriazole Traditional Name: 1,3-benzothiazole; 2H-benzotriazole Formula: C13H10N4S MolecularWeight: 254.3103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CS2.C1=CC2=NNN=C2C=C1

Isomeric SMILES

C1=CC=C2C(=C1)N=CS2.C1=CC2=NNN=C2C=C1

InChI

InChI=1S/C7H5NS.C6H5N3/c1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5(3-1)7-9-8-6/h1-5H;1-4H,(H,7,8,9)