4-cyclohexyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-cyclohexyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-cyclohexyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-cyclohexyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-cyclohexyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-cyclohexyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-1H-1,2,4-triazol-5-one Formula: C17H18N6O4S MolecularWeight: 402.42762

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)NN=C2SCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N2C(=O)NN=C2SCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O4S/c24-16-20-21-17(22(16)12-4-2-1-3-5-12)28-10-14-18-19-15(27-14)11-6-8-13(9-7-11)23(25)26/h6-9,12H,1-5,10H2,(H,20,24)