1-[3-(furan-2-yl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-phenoxy-propan-1-one

Systemtic Name: 1-[3-(furan-2-yl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-phenoxy-propan-1-one Openeye Name: 1-[3-(2-furyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]-2-phenoxy-propan-1-one CAS Name: 1-[3-(2-furanyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-phenoxy-1-propanone IUPAC Name: 1-[3-(furan-2-yl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-phenoxypropan-1-one Traditional Name: 1-[3-(2-furyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]-2-phenoxy-propan-1-one Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C(=NC(=N1)C2=CC=CO2)NCC3=CC=CS3)OC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1C(=NC(=N1)C2=CC=CO2)NCC3=CC=CS3)OC4=CC=CC=C4

InChI

InChI=1S/C20H18N4O3S/c1-14(27-15-7-3-2-4-8-15)19(25)24-20(21-13-16-9-6-12-28-16)22-18(23-24)17-10-5-11-26-17/h2-12,14H,13H2,1H3,(H,21,22,23)