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

Systemtic Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C14H20N4OS MolecularWeight: 292.3998

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)C2=C(N(C(=C2)C)C)C

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)C2=C(N(C(=C2)C)C)C

InChI

InChI=1S/C14H20N4OS/c1-5-6-13-15-14(17-16-13)20-8-12(19)11-7-9(2)18(4)10(11)3/h7H,5-6,8H2,1-4H3,(H,15,16,17)