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

Systemtic Name: 1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitro-phenyl]-4-naphthalen-2-ylsulfonyl-piperazine Openeye Name: 1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitro-phenyl]-4-(2-naphthylsulfonyl)piperazine CAS Name: 1-[3-[(4-methyl-1,2,4-triazol-3-yl)thio]-4-nitrophenyl]-4-(2-naphthalenylsulfonyl)piperazine IUPAC Name: 1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]-4-naphthalen-2-ylsulfonylpiperazine Traditional Name: 1-[3-[(4-methyl-1,2,4-triazol-3-yl)thio]-4-nitro-phenyl]-4-(2-naphthylsulfonyl)piperazine Formula: C23H22N6O4S2 MolecularWeight: 510.58858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N6O4S2/c1-26-16-24-25-23(26)34-22-15-19(7-9-21(22)29(30)31)27-10-12-28(13-11-27)35(32,33)20-8-6-17-4-2-3-5-18(17)14-20/h2-9,14-16H,10-13H2,1H3