5-(phenylazanylmethyl)-2-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-(phenylazanylmethyl)-2-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-(anilinomethyl)-2-(2-thienyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 5-(anilinomethyl)-2-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-(anilinomethyl)-2-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-(anilinomethyl)-2-(2-thienyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C16H13N5OS MolecularWeight: 323.37232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCC2=CC(=O)N3C(=N2)N=C(N3)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)NCC2=CC(=O)N3C(=N2)N=C(N3)C4=CC=CS4

InChI

InChI=1S/C16H13N5OS/c22-14-9-12(10-17-11-5-2-1-3-6-11)18-16-19-15(20-21(14)16)13-7-4-8-23-13/h1-9,17H,10H2,(H,18,19,20)