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

Systemtic Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone CAS Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-allyl-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)CSC2=NN=CN2CC=C

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)CSC2=NN=CN2CC=C

InChI

InChI=1S/C13H16N4OS/c1-4-5-17-8-14-16-13(17)19-7-12(18)11-6-9(2)15-10(11)3/h4,6,8,15H,1,5,7H2,2-3H3