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

Systemtic Name: 1-(4-bromophenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitro-phenyl]piperazine Openeye Name: 1-(4-bromophenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitro-phenyl]piperazine CAS Name: 1-(4-bromophenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)thio]-4-nitrophenyl]piperazine IUPAC Name: 1-(4-bromophenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine Traditional Name: 1-brosyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)thio]-4-nitro-phenyl]piperazine Formula: C19H19BrN6O4S2 MolecularWeight: 539.42596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN6O4S2/c1-23-13-21-22-19(23)31-18-12-15(4-7-17(18)26(27)28)24-8-10-25(11-9-24)32(29,30)16-5-2-14(20)3-6-16/h2-7,12-13H,8-11H2,1H3