5-azanyl-1-(4-chloranyl-3-methoxy-phenyl)-N-(4-fluorophenyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-1-(4-chloranyl-3-methoxy-phenyl)-N-(4-fluorophenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-(4-chloro-3-methoxy-phenyl)-N-(4-fluorophenyl)triazole-4-carboxamide CAS Name: 5-amino-1-(4-chloro-3-methoxyphenyl)-N-(4-fluorophenyl)-4-triazolecarboxamide IUPAC Name: 5-amino-1-(4-chloro-3-methoxyphenyl)-N-(4-fluorophenyl)triazole-4-carboxamide Traditional Name: 5-amino-1-(4-chloro-3-methoxy-phenyl)-N-(4-fluorophenyl)triazole-4-carboxamide Formula: C16H13ClFN5O2 MolecularWeight: 361.758123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2C(=C(N=N2)C(=O)NC3=CC=C(C=C3)F)N)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)N2C(=C(N=N2)C(=O)NC3=CC=C(C=C3)F)N)Cl

InChI

InChI=1S/C16H13ClFN5O2/c1-25-13-8-11(6-7-12(13)17)23-15(19)14(21-22-23)16(24)20-10-4-2-9(18)3-5-10/h2-8H,19H2,1H3,(H,20,24)