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

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(1-isopropyltetrazol-5-yl)sulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-[(1-propan-2-yl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(1-isopropyltetrazol-5-yl)thio]ethanone Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5OS/c1-14(2)25-20(21-22-23-25)27-13-19(26)18-12-15(3)24(16(18)4)11-10-17-8-6-5-7-9-17/h5-9,12,14H,10-11,13H2,1-4H3