1-[2-(4-chlorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl]ethanone

Systemtic Name: 1-[2-(4-chlorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl]ethanone Openeye Name: 1-[2-(4-chlorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-3-(2-thienyl)-3H-1,2,4-triazol-5-yl]ethanone CAS Name: 1-[2-(4-chlorophenyl)-4-[4-(1-pyrrolidinyl)phenyl]-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl]ethanone IUPAC Name: 1-[2-(4-chlorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl]ethanone Traditional Name: 1-[2-(4-chlorophenyl)-4-(4-pyrrolidinophenyl)-3-(2-thienyl)-3H-1,2,4-triazol-5-yl]ethanone Formula: C24H23ClN4OS MolecularWeight: 450.98362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C(N1C2=CC=C(C=C2)N3CCCC3)C4=CC=CS4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC(=O)C1=NN(C(N1C2=CC=C(C=C2)N3CCCC3)C4=CC=CS4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H23ClN4OS/c1-17(30)23-26-29(21-8-6-18(25)7-9-21)24(22-5-4-16-31-22)28(23)20-12-10-19(11-13-20)27-14-2-3-15-27/h4-13,16,24H,2-3,14-15H2,1H3