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

Systemtic Name: 4-cyclohexyl-3-(2,4-dichlorophenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-(2,4-dichlorophenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-cyclohexyl-3-(2,4-dichlorophenyl)-5-[(3-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-(2,4-dichlorophenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-(2,4-dichlorophenyl)-5-[(3-nitrobenzyl)thio]-1,2,4-triazole Formula: C21H20Cl2N4O2S MolecularWeight: 463.3801

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H20Cl2N4O2S/c22-15-9-10-18(19(23)12-15)20-24-25-21(26(20)16-6-2-1-3-7-16)30-13-14-5-4-8-17(11-14)27(28)29/h4-5,8-12,16H,1-3,6-7,13H2