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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(1H-pyrrol-2-yl)ethanone Formula: C8H9N5OS MolecularWeight: 223.25496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=C1)C(=O)CSC2=NNC(=N2)N

Isomeric SMILES

C1=CNC(=C1)C(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C8H9N5OS/c9-7-11-8(13-12-7)15-4-6(14)5-2-1-3-10-5/h1-3,10H,4H2,(H3,9,11,12,13)