2-[[5-butyl-4-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanol

Systemtic Name: 2-[[5-butyl-4-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanol Openeye Name: 2-[[5-butyl-4-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanol CAS Name: 2-[[5-butyl-4-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-yl]thio]ethanol IUPAC Name: 2-[[5-butyl-4-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanol Traditional Name: 2-[[5-butyl-4-(4-nitrobenzyl)-1,2,4-triazol-3-yl]thio]ethanol Formula: C15H20N4O3S MolecularWeight: 336.4093

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])SCCO

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])SCCO

InChI

InChI=1S/C15H20N4O3S/c1-2-3-4-14-16-17-15(23-10-9-20)18(14)11-12-5-7-13(8-6-12)19(21)22/h5-8,20H,2-4,9-11H2,1H3