4-phenyl-1-(1,2,3-triazol-1-yl)butan-2-one

Systemtic Name: 4-phenyl-1-(1,2,3-triazol-1-yl)butan-2-one Openeye Name: 4-phenyl-1-(triazol-1-yl)butan-2-one CAS Name: 4-phenyl-1-(1-triazolyl)-2-butanone IUPAC Name: 4-phenyl-1-(triazol-1-yl)butan-2-one Traditional Name: 4-phenyl-1-(triazol-1-yl)butan-2-one Formula: C12H13N3O MolecularWeight: 215.25112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)CN2C=CN=N2

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)CN2C=CN=N2

InChI

InChI=1S/C12H13N3O/c16-12(10-15-9-8-13-14-15)7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2