2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C18H24N4OS MolecularWeight: 344.47436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NNC(=N2)C3CCCC3

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NNC(=N2)C3CCCC3

InChI

InChI=1S/C18H24N4OS/c1-4-9-22-12(2)10-15(13(22)3)16(23)11-24-18-19-17(20-21-18)14-7-5-6-8-14/h4,10,14H,1,5-9,11H2,2-3H3,(H,19,20,21)