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

Systemtic Name: 2-[(3-butyl-1,2,4-triazol-1-yl)sulfanyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[(3-butyl-1,2,4-triazol-1-yl)sulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[(3-butyl-1,2,4-triazol-1-yl)thio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[(3-butyl-1,2,4-triazol-1-yl)sulfanyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[(3-butyl-1,2,4-triazol-1-yl)thio]-6-nitro-1,3-benzothiazole Formula: C13H13N5O2S2 MolecularWeight: 335.40462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C=N1)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NN(C=N1)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O2S2/c1-2-3-4-12-14-8-17(16-12)22-13-15-10-6-5-9(18(19)20)7-11(10)21-13/h5-8H,2-4H2,1H3