1-[4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]sulfonylpiperidine

Systemtic Name: 1-[4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]sulfonylpiperidine Openeye Name: 1-[4-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]sulfonylpiperidine CAS Name: 1-[4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-3-nitrophenyl]sulfonylpiperidine IUPAC Name: 1-[4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitrophenyl]sulfonylpiperidine Traditional Name: 1-[4-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-3-nitro-phenyl]sulfonylpiperidine Formula: C21H23N5O4S2 MolecularWeight: 473.56842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-])C

InChI

InChI=1S/C21H23N5O4S2/c1-15-8-4-5-9-18(15)25-16(2)22-23-21(25)31-20-11-10-17(14-19(20)26(27)28)32(29,30)24-12-6-3-7-13-24/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3