(5S)-5-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylamino)cyclohex-2-en-1-one

Systemtic Name: (5S)-5-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylamino)cyclohex-2-en-1-one Openeye Name: (5S)-5-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylamino)cyclohex-2-en-1-one CAS Name: (5S)-5-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylamino)-1-cyclohex-2-enone IUPAC Name: (5S)-5-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylamino)cyclohex-2-en-1-one Traditional Name: (5S)-5-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylamino)cyclohex-2-en-1-one Formula: C14H13ClN4O MolecularWeight: 288.73222

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C=C1NC2=NC=NN2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1[C@@H](CC(=O)C=C1NC2=NC=NN2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H13ClN4O/c15-11-3-1-9(2-4-11)10-5-12(7-13(20)6-10)18-14-16-8-17-19-14/h1-4,7-8,10H,5-6H2,(H2,16,17,18,19)/t10-/m0/s1