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

Systemtic Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C12H16N4OS MolecularWeight: 264.34664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC2=NN=CN2C

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC2=NN=CN2C

InChI

InChI=1S/C12H16N4OS/c1-8-5-10(9(2)16(8)4)11(17)6-18-12-14-13-7-15(12)3/h5,7H,6H2,1-4H3