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

Systemtic Name: 4-cyclohexyl-3-(furan-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-(2-furyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-cyclohexyl-3-(2-furanyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-(furan-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-(2-furyl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CO4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CO4

InChI

InChI=1S/C19H20N4O3S/c24-23(25)16-10-8-14(9-11-16)13-27-19-21-20-18(17-7-4-12-26-17)22(19)15-5-2-1-3-6-15/h4,7-12,15H,1-3,5-6,13H2