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

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-[(1-methyl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(1-methyltetrazol-5-yl)thio]ethanone Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NN=NN3C

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NN=NN3C

InChI

InChI=1S/C18H21N5OS/c1-13-11-16(17(24)12-25-18-19-20-21-22(18)3)14(2)23(13)10-9-15-7-5-4-6-8-15/h4-8,11H,9-10,12H2,1-3H3