(4-butoxyphenyl)-[3-(2-ethoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]methanone

Systemtic Name: (4-butoxyphenyl)-[3-(2-ethoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[3-(2-ethoxyethoxy)-5-(2-thienyl)-1,2,4-triazol-1-yl]methanone CAS Name: (4-butoxyphenyl)-[3-(2-ethoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]methanone IUPAC Name: (4-butoxyphenyl)-[3-(2-ethoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[3-(2-ethoxyethoxy)-5-(2-thienyl)-1,2,4-triazol-1-yl]methanone Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCCOCC)C3=CC=CS3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCCOCC)C3=CC=CS3

InChI

InChI=1S/C21H25N3O4S/c1-3-5-12-27-17-10-8-16(9-11-17)20(25)24-19(18-7-6-15-29-18)22-21(23-24)28-14-13-26-4-2/h6-11,15H,3-5,12-14H2,1-2H3