(2E)-2-[(3-methyl-1,2,3-triazol-4-yl)methylidene]pentanal

Systemtic Name: (2E)-2-[(3-methyl-1,2,3-triazol-4-yl)methylidene]pentanal Openeye Name: (2E)-2-[(3-methyltriazol-4-yl)methylene]pentanal CAS Name: (2E)-2-[(3-methyl-4-triazolyl)methylidene]pentanal IUPAC Name: (2E)-2-[(3-methyltriazol-4-yl)methylidene]pentanal Traditional Name: (E)-3-(3-methyltriazol-4-yl)-2-propyl-acrolein Formula: C9H13N3O MolecularWeight: 179.21902

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=CC1=CN=NN1C)C=O

Isomeric SMILES

CCC/C(=C\C1=CN=NN1C)/C=O

InChI

InChI=1S/C9H13N3O/c1-3-4-8(7-13)5-9-6-10-11-12(9)2/h5-7H,3-4H2,1-2H3/b8-5+