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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-[4-(benzenesulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-besylpiperazino)ethanone Formula: C14H18N6O3S2 MolecularWeight: 382.46112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N6O3S2/c15-13-16-14(18-17-13)24-10-12(21)19-6-8-20(9-7-19)25(22,23)11-4-2-1-3-5-11/h1-5H,6-10H2,(H3,15,16,17,18)