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

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

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

Canonical SMILES:

CC(C)C1=NN(C=N1)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]


Isomeric SMILES

CC(C)C1=NN(C=N1)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]


InChI

InChI=1S/C12H11N5O2S2/c1-7(2)11-13-6-16(15-11)21-12-14-9-4-3-8(17(18)19)5-10(9)20-12/h3-7H,1-2H3


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