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

Systemtic Name: 1-[3-(furan-2-yl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[3-(2-furyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one CAS Name: 1-[3-(2-furanyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-3-methyl-1-butanone IUPAC Name: 1-[3-(furan-2-yl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-3-methylbutan-1-one Traditional Name: 1-[3-(2-furyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Formula: C16H18N4O2S MolecularWeight: 330.40472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O2S/c1-11(2)9-14(21)20-16(17-10-12-5-4-8-23-12)18-15(19-20)13-6-3-7-22-13/h3-8,11H,9-10H2,1-2H3,(H,17,18,19)