6-nitro-2-[(3-propyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-benzothiazole

Systemtic Name: 6-nitro-2-[(3-propyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-benzothiazole Openeye Name: 6-nitro-2-[(3-propyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-benzothiazole CAS Name: 6-nitro-2-[(3-propyl-1,2,4-triazol-1-yl)thio]-1,3-benzothiazole IUPAC Name: 6-nitro-2-[(3-propyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-benzothiazole Traditional Name: 6-nitro-2-[(3-propyl-1,2,4-triazol-1-yl)thio]-1,3-benzothiazole Formula: C12H11N5O2S2 MolecularWeight: 321.37804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C=N1)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN(C=N1)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O2S2/c1-2-3-11-13-7-16(15-11)21-12-14-9-5-4-8(17(18)19)6-10(9)20-12/h4-7H,2-3H2,1H3