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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCCN2C=NC=N2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCCN2C=NC=N2

InChI

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