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

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[(1-methyl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[(1-methyltetrazol-5-yl)thio]ethanone Formula: C13H17N5OS MolecularWeight: 291.37198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NN=NN3C

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NN=NN3C

InChI

InChI=1S/C13H17N5OS/c1-8-6-11(9(2)18(8)10-4-5-10)12(19)7-20-13-14-15-16-17(13)3/h6,10H,4-5,7H2,1-3H3