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

Systemtic Name: 4-chloranyl-1-phenyl-2-(1,2,4-triazol-1-yl)butan-1-one Openeye Name: 4-chloro-1-phenyl-2-(1,2,4-triazol-1-yl)butan-1-one CAS Name: 4-chloro-1-phenyl-2-(1,2,4-triazol-1-yl)-1-butanone IUPAC Name: 4-chloro-1-phenyl-2-(1,2,4-triazol-1-yl)butan-1-one Traditional Name: 4-chloro-1-phenyl-2-(1,2,4-triazol-1-yl)butan-1-one Formula: C12H12ClN3O MolecularWeight: 249.69618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(CCCl)N2C=NC=N2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(CCCl)N2C=NC=N2

InChI

InChI=1S/C12H12ClN3O/c13-7-6-11(16-9-14-8-15-16)12(17)10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2