N-(5-nitro-1,3-benzothiazol-2-yl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C14H14N6O3S2 MolecularWeight: 378.42936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC(=O)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC(=O)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H14N6O3S2/c1-7(2)12-17-14(19-18-12)24-6-11(21)16-13-15-9-5-8(20(22)23)3-4-10(9)25-13/h3-5,7H,6H2,1-2H3,(H,15,16,21)(H,17,18,19)