2-phenyl-1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone

Systemtic Name: 2-phenyl-1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone Openeye Name: 2-phenyl-1-[3-(3-pyridyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]ethanone CAS Name: 2-phenyl-1-[3-(3-pyridinyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone IUPAC Name: 2-phenyl-1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone Traditional Name: 2-phenyl-1-[3-(3-pyridyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]ethanone Formula: C20H17N5OS MolecularWeight: 375.44688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CS4

InChI

InChI=1S/C20H17N5OS/c26-18(12-15-6-2-1-3-7-15)25-20(22-14-17-9-5-11-27-17)23-19(24-25)16-8-4-10-21-13-16/h1-11,13H,12,14H2,(H,22,23,24)