6-nitro-2-[(1-propyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 6-nitro-2-[(1-propyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-1,3-benzothiazole Openeye Name: 6-nitro-2-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3-benzothiazole CAS Name: 6-nitro-2-[(1-propyl-5-tetrazolyl)methylthio]-1,3-benzothiazole IUPAC Name: 6-nitro-2-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3-benzothiazole Traditional Name: 6-nitro-2-[(1-propyltetrazol-5-yl)methylthio]-1,3-benzothiazole Formula: C12H12N6O2S2 MolecularWeight: 336.39268

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=NN=N1)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H12N6O2S2/c1-2-5-17-11(14-15-16-17)7-21-12-13-9-4-3-8(18(19)20)6-10(9)22-12/h3-4,6H,2,5,7H2,1H3