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

Systemtic Name: 4-cyclohexyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-(3-isopropoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-cyclohexyl-3-[(4-nitrophenyl)methylthio]-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-(3-isopropoxyphenyl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2C3CCCCC3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2C3CCCCC3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H28N4O3S/c1-17(2)31-22-10-6-7-19(15-22)23-25-26-24(27(23)20-8-4-3-5-9-20)32-16-18-11-13-21(14-12-18)28(29)30/h6-7,10-15,17,20H,3-5,8-9,16H2,1-2H3