4-cyclohexyl-3-[(3-methylphenyl)methylsulfanyl]-5-(3-nitrophenyl)-1,2,4-triazole

Systemtic Name: 4-cyclohexyl-3-[(3-methylphenyl)methylsulfanyl]-5-(3-nitrophenyl)-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-(m-tolylmethylsulfanyl)-5-(3-nitrophenyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-[(3-methylphenyl)methylthio]-5-(3-nitrophenyl)-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-[(3-methylphenyl)methylsulfanyl]-5-(3-nitrophenyl)-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-[(3-methylbenzyl)thio]-5-(3-nitrophenyl)-1,2,4-triazole Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2C3CCCCC3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C3CCCCC3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O2S/c1-16-7-5-8-17(13-16)15-29-22-24-23-21(25(22)19-10-3-2-4-11-19)18-9-6-12-20(14-18)26(27)28/h5-9,12-14,19H,2-4,10-11,15H2,1H3