2-(4-chloranylbutyl)-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-one

Systemtic Name: 2-(4-chloranylbutyl)-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-one Openeye Name: 4-allyl-2-(4-chlorobutyl)-5-(3-pyridyl)-1,2,4-triazol-3-one CAS Name: 2-(4-chlorobutyl)-4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-one IUPAC Name: 2-(4-chlorobutyl)-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-one Traditional Name: 4-allyl-2-(4-chlorobutyl)-5-(3-pyridyl)-1,2,4-triazol-3-one Formula: C14H17ClN4O MolecularWeight: 292.76398

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=O)CCCCCl)C2=CN=CC=C2

Isomeric SMILES

C=CCN1C(=NN(C1=O)CCCCCl)C2=CN=CC=C2

InChI

InChI=1S/C14H17ClN4O/c1-2-9-18-13(12-6-5-8-16-11-12)17-19(14(18)20)10-4-3-7-15/h2,5-6,8,11H,1,3-4,7,9-10H2