3-butyl-3-(1,2,4-triazol-1-ylmethyl)-1-benzofuran-2-one

Systemtic Name: 3-butyl-3-(1,2,4-triazol-1-ylmethyl)-1-benzofuran-2-one Openeye Name: 3-butyl-3-(1,2,4-triazol-1-ylmethyl)benzofuran-2-one CAS Name: 3-butyl-3-(1,2,4-triazol-1-ylmethyl)-2-benzofuranone IUPAC Name: 3-butyl-3-(1,2,4-triazol-1-ylmethyl)-1-benzofuran-2-one Traditional Name: 3-butyl-3-(1,2,4-triazol-1-ylmethyl)coumaran-2-one Formula: C15H17N3O2 MolecularWeight: 271.31438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=CC=CC=C2OC1=O)CN3C=NC=N3

Isomeric SMILES

CCCCC1(C2=CC=CC=C2OC1=O)CN3C=NC=N3

InChI

InChI=1S/C15H17N3O2/c1-2-3-8-15(9-18-11-16-10-17-18)12-6-4-5-7-13(12)20-14(15)19/h4-7,10-11H,2-3,8-9H2,1H3