(E)-1-phenyl-3-(1,2,4-triazol-1-yl)but-2-en-1-one

Systemtic Name: (E)-1-phenyl-3-(1,2,4-triazol-1-yl)but-2-en-1-one Openeye Name: (E)-1-phenyl-3-(1,2,4-triazol-1-yl)but-2-en-1-one CAS Name: (E)-1-phenyl-3-(1,2,4-triazol-1-yl)-2-buten-1-one IUPAC Name: (E)-1-phenyl-3-(1,2,4-triazol-1-yl)but-2-en-1-one Traditional Name: (E)-1-phenyl-3-(1,2,4-triazol-1-yl)but-2-en-1-one Formula: C12H11N3O MolecularWeight: 213.23524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C\C(=O)C1=CC=CC=C1)/N2C=NC=N2

InChI

InChI=1S/C12H11N3O/c1-10(15-9-13-8-14-15)7-12(16)11-5-3-2-4-6-11/h2-9H,1H3/b10-7+