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

Systemtic Name: 2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-1-(1H-pyrrol-2-yl)ethanone Formula: C11H14N4OS MolecularWeight: 250.32006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC(=O)C2=CC=CN2

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC(=O)C2=CC=CN2

InChI

InChI=1S/C11H14N4OS/c1-7(2)10-13-11(15-14-10)17-6-9(16)8-4-3-5-12-8/h3-5,7,12H,6H2,1-2H3,(H,13,14,15)