1-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-3-methyl-butan-1-one CAS Name: 1-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-3-methyl-1-butanone IUPAC Name: 1-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-3-methylbutan-1-one Traditional Name: 1-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Formula: C16H20ClN3O2 MolecularWeight: 321.8019

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NN(C(=N1)C2=CC(=CC=C2)Cl)C(=O)CC(C)C

Isomeric SMILES

CCCOC1=NN(C(=N1)C2=CC(=CC=C2)Cl)C(=O)CC(C)C

InChI

InChI=1S/C16H20ClN3O2/c1-4-8-22-16-18-15(12-6-5-7-13(17)10-12)20(19-16)14(21)9-11(2)3/h5-7,10-11H,4,8-9H2,1-3H3