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

Systemtic Name: 4-cyclohexyl-3-[(2-nitrophenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-[(2-nitrophenyl)methylsulfanyl]-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-[(2-nitrophenyl)methylthio]-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-[(2-nitrophenyl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-[(2-nitrobenzyl)thio]-5-(2-thenyl)-1,2,4-triazole Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=CC=CC=C3[N+](=O)[O-])CC4=CC=CS4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=CC=CC=C3[N+](=O)[O-])CC4=CC=CS4

InChI

InChI=1S/C20H22N4O2S2/c25-24(26)18-11-5-4-7-15(18)14-28-20-22-21-19(13-17-10-6-12-27-17)23(20)16-8-2-1-3-9-16/h4-7,10-12,16H,1-3,8-9,13-14H2