1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone

Systemtic Name: 1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-[(1-methyl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone Traditional Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[(1-methyltetrazol-5-yl)thio]ethanone Formula: C13H19N5OS MolecularWeight: 293.38786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)CSC2=NN=NN2C

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)CSC2=NN=NN2C

InChI

InChI=1S/C13H19N5OS/c1-8(2)18-9(3)6-11(10(18)4)12(19)7-20-13-14-15-16-17(13)5/h6,8H,7H2,1-5H3