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

Systemtic Name: 1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[3-(3-pyridyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[3-(3-pyridinyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[3-(3-pyridyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]butan-1-one Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5OS/c1-2-5-14(22)21-16(18-11-13-7-4-9-23-13)19-15(20-21)12-6-3-8-17-10-12/h3-4,6-10H,2,5,11H2,1H3,(H,18,19,20)