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

Systemtic Name: 1-methylsulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitro-phenyl]piperazine Openeye Name: 1-methylsulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitro-phenyl]piperazine CAS Name: 1-methylsulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)thio]-4-nitrophenyl]piperazine IUPAC Name: 1-methylsulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine Traditional Name: 1-mesyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)thio]-4-nitro-phenyl]piperazine Formula: C14H18N6O4S2 MolecularWeight: 398.46052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N6O4S2/c1-17-10-15-16-14(17)25-13-9-11(3-4-12(13)20(21)22)18-5-7-19(8-6-18)26(2,23)24/h3-4,9-10H,5-8H2,1-2H3