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

Systemtic Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-1-(1H-pyrrol-2-yl)ethanone Formula: C14H12N4OS MolecularWeight: 284.33628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NN=C2SCC(=O)C3=CC=CN3

Isomeric SMILES

C1=CC=C(C=C1)N2C=NN=C2SCC(=O)C3=CC=CN3

InChI

InChI=1S/C14H12N4OS/c19-13(12-7-4-8-15-12)9-20-14-17-16-10-18(14)11-5-2-1-3-6-11/h1-8,10,15H,9H2