1-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)-4-chloranyl-butan-1-one

Systemtic Name: 1-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)-4-chloranyl-butan-1-one Openeye Name: 1-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)-4-chloro-butan-1-one CAS Name: 1-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)-4-chloro-1-butanone IUPAC Name: 1-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)-4-chlorobutan-1-one Traditional Name: 1-(3-butoxy-5-phenyl-1,2,4-triazol-1-yl)-4-chloro-butan-1-one Formula: C16H20ClN3O2 MolecularWeight: 321.8019

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC=CC=C2)C(=O)CCCCl

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC=CC=C2)C(=O)CCCCl

InChI

InChI=1S/C16H20ClN3O2/c1-2-3-12-22-16-18-15(13-8-5-4-6-9-13)20(19-16)14(21)10-7-11-17/h4-6,8-9H,2-3,7,10-12H2,1H3