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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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