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

Systemtic Name: 4-cyclohexyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-[(4-nitrophenyl)methylthio]-5-(phenoxymethyl)-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-[(4-nitrobenzyl)thio]-5-(phenoxymethyl)-1,2,4-triazole Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])COC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])COC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3S/c27-26(28)19-13-11-17(12-14-19)16-30-22-24-23-21(15-29-20-9-5-2-6-10-20)25(22)18-7-3-1-4-8-18/h2,5-6,9-14,18H,1,3-4,7-8,15-16H2