2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-benzofuran-2-yl)ethanone

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-benzofuran-2-yl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(benzofuran-2-yl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(2-benzofuranyl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-benzofuran-2-yl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(benzofuran-2-yl)ethanone Formula: C12H10N4O2S MolecularWeight: 274.2984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)CSC3=NNC(=N3)N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C12H10N4O2S/c13-11-14-12(16-15-11)19-6-8(17)10-5-7-3-1-2-4-9(7)18-10/h1-5H,6H2,(H3,13,14,15,16)