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

Systemtic Name: 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4OS/c1-5-7-15-17-16(19-18-15)22-10-14(21)13-9-11(3)20(8-6-2)12(13)4/h6,9H,2,5,7-8,10H2,1,3-4H3,(H,17,18,19)