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

Systemtic Name: 1-[5-azanyl-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]butan-1-one Formula: C12H13ClN4O MolecularWeight: 264.71082

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)Cl)N

Isomeric SMILES

CCCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)Cl)N

InChI

InChI=1S/C12H13ClN4O/c1-2-3-10(18)17-12(14)15-11(16-17)8-4-6-9(13)7-5-8/h4-7H,2-3H2,1H3,(H2,14,15,16)