2-propan-2-yl-5-[(E)-prop-1-enyl]-1H-1,2,4-triazol-3-one

Systemtic Name: 2-propan-2-yl-5-[(E)-prop-1-enyl]-1H-1,2,4-triazol-3-one Openeye Name: 2-isopropyl-5-[(E)-prop-1-enyl]-1H-1,2,4-triazol-3-one CAS Name: 2-propan-2-yl-5-[(E)-prop-1-enyl]-1H-1,2,4-triazol-3-one IUPAC Name: 2-propan-2-yl-5-[(E)-prop-1-enyl]-1H-1,2,4-triazol-3-one Traditional Name: 2-isopropyl-5-[(E)-prop-1-enyl]-1H-1,2,4-triazol-3-one Formula: C8H13N3O MolecularWeight: 167.20832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=NC(=O)N(N1)C(C)C

Isomeric SMILES

C/C=C/C1=NC(=O)N(N1)C(C)C

InChI

InChI=1S/C8H13N3O/c1-4-5-7-9-8(12)11(10-7)6(2)3/h4-6H,1-3H3,(H,9,10,12)/b5-4+