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

Systemtic Name: 2-methyl-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 2-methyl-1-[3-phenyl-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]propan-1-one CAS Name: 2-methyl-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 2-methyl-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 2-methyl-1-[3-phenyl-5-(2-thenylamino)-1,2,4-triazol-1-yl]propan-1-one Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4OS/c1-12(2)16(22)21-17(18-11-14-9-6-10-23-14)19-15(20-21)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H,18,19,20)