3-(4-chloranylpyrazol-1-yl)-7-(4-methyl-5-phenyl-1,2,3-triazol-2-yl)chromen-2-one

Systemtic Name: 3-(4-chloranylpyrazol-1-yl)-7-(4-methyl-5-phenyl-1,2,3-triazol-2-yl)chromen-2-one Openeye Name: 3-(4-chloropyrazol-1-yl)-7-(4-methyl-5-phenyl-triazol-2-yl)chromen-2-one CAS Name: 3-(4-chloro-1-pyrazolyl)-7-(4-methyl-5-phenyl-2-triazolyl)-1-benzopyran-2-one IUPAC Name: 3-(4-chloropyrazol-1-yl)-7-(4-methyl-5-phenyltriazol-2-yl)chromen-2-one Traditional Name: 3-(4-chloropyrazol-1-yl)-7-(4-methyl-5-phenyl-triazol-2-yl)coumarin Formula: C21H14ClN5O2 MolecularWeight: 403.82116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C2=CC=CC=C2)C3=CC4=C(C=C3)C=C(C(=O)O4)N5C=C(C=N5)Cl

Isomeric SMILES

CC1=NN(N=C1C2=CC=CC=C2)C3=CC4=C(C=C3)C=C(C(=O)O4)N5C=C(C=N5)Cl

InChI

InChI=1S/C21H14ClN5O2/c1-13-20(14-5-3-2-4-6-14)25-27(24-13)17-8-7-15-9-18(21(28)29-19(15)10-17)26-12-16(22)11-23-26/h2-12H,1H3