(E)-1-(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-3-(4-chlorophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-3-(4-chlorophenyl)prop-2-en-1-one Openeye Name: (E)-1-[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one CAS Name: (E)-1-[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-3-(4-chlorophenyl)-2-propen-1-one IUPAC Name: (E)-1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-3-(4-chlorophenyl)prop-2-en-1-one Traditional Name: (E)-1-[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one Formula: C16H12ClN5O MolecularWeight: 325.75238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN(C(=N2)N)C(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CN=C1)C2=NN(C(=N2)N)C(=O)/C=C/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H12ClN5O/c17-13-6-3-11(4-7-13)5-8-14(23)22-16(18)20-15(21-22)12-2-1-9-19-10-12/h1-10H,(H2,18,20,21)/b8-5+