(4-butoxyphenyl)-[5-(2-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]methanone

Systemtic Name: (4-butoxyphenyl)-[5-(2-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[5-(2-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]methanone CAS Name: (4-butoxyphenyl)-[5-(2-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]methanone IUPAC Name: (4-butoxyphenyl)-[5-(2-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[5-(2-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]methanone Formula: C22H24ClN3O3 MolecularWeight: 413.89726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCCC)C3=CC=CC=C3Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCCC)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H24ClN3O3/c1-3-5-15-28-17-12-10-16(11-13-17)21(27)26-20(18-8-6-7-9-19(18)23)24-22(25-26)29-14-4-2/h6-13H,3-5,14-15H2,1-2H3