2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C13H16N6O2S2 MolecularWeight: 352.43514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NNC(=N2)N)C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NNC(=N2)N)C(=O)C3=CC=CS3

InChI

InChI=1S/C13H16N6O2S2/c14-12-15-13(17-16-12)23-8-10(20)18-3-5-19(6-4-18)11(21)9-2-1-7-22-9/h1-2,7H,3-6,8H2,(H3,14,15,16,17)