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

Systemtic Name: 1-[5-azanyl-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 1-[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]propan-1-one CAS Name: 1-[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 1-[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 1-[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]propan-1-one Formula: C11H11ClN4O MolecularWeight: 250.68424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11ClN4O/c1-2-9(17)16-11(13)14-10(15-16)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H2,13,14,15)