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

Systemtic Name: 1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 1-[3-phenyl-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]propan-1-one CAS Name: 1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 1-[3-phenyl-5-(2-thenylamino)-1,2,4-triazol-1-yl]propan-1-one Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4OS/c1-2-14(21)20-16(17-11-13-9-6-10-22-13)18-15(19-20)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,17,18,19)