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

Systemtic Name: 2-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[(1-butyl-5-tetrazolyl)methylthio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[(1-butyltetrazol-5-yl)methylthio]-6-nitro-1,3-benzothiazole Formula: C13H14N6O2S2 MolecularWeight: 350.41926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=NN=N1)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H14N6O2S2/c1-2-3-6-18-12(15-16-17-18)8-22-13-14-10-5-4-9(19(20)21)7-11(10)23-13/h4-5,7H,2-3,6,8H2,1H3