(E)-3-(5-chloranyl-1H-indol-3-yl)-3-oxidanyl-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(5-chloranyl-1H-indol-3-yl)-3-oxidanyl-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one Openeye Name: (E)-3-(5-chloro-1H-indol-3-yl)-3-hydroxy-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one CAS Name: (E)-3-(5-chloro-1H-indol-3-yl)-3-hydroxy-1-(1H-1,2,4-triazol-5-yl)-2-propen-1-one IUPAC Name: (E)-3-(5-chloro-1H-indol-3-yl)-3-hydroxy-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one Traditional Name: (E)-3-(5-chloro-1H-indol-3-yl)-3-hydroxy-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one Formula: C13H9ClN4O2 MolecularWeight: 288.68916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C(=CN2)C(=CC(=O)C3=NC=NN3)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)C(=CN2)/C(=C\C(=O)C3=NC=NN3)/O

InChI

InChI=1S/C13H9ClN4O2/c14-7-1-2-10-8(3-7)9(5-15-10)11(19)4-12(20)13-16-6-17-18-13/h1-6,15,19H,(H,16,17,18)/b11-4+