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

Systemtic Name: 3-methyl-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 3-methyl-1-[3-phenyl-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]butan-1-one CAS Name: 3-methyl-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 3-methyl-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 3-methyl-1-[3-phenyl-5-(2-thenylamino)-1,2,4-triazol-1-yl]butan-1-one Formula: C18H20N4OS MolecularWeight: 340.4426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4OS/c1-13(2)11-16(23)22-18(19-12-15-9-6-10-24-15)20-17(21-22)14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3,(H,19,20,21)