1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitro-phenyl]-4-(phenylsulfonyl)piperazine

Systemtic Name: 1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitro-phenyl]-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitro-phenyl]piperazine CAS Name: 1-(benzenesulfonyl)-4-[3-[(4-methyl-1,2,4-triazol-3-yl)thio]-4-nitrophenyl]piperazine IUPAC Name: 1-(benzenesulfonyl)-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine Traditional Name: 1-besyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)thio]-4-nitro-phenyl]piperazine Formula: C19H20N6O4S2 MolecularWeight: 460.5299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O4S2/c1-22-14-20-21-19(22)30-18-13-15(7-8-17(18)25(26)27)23-9-11-24(12-10-23)31(28,29)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3