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

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-[(1-phenyl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(1-phenyltetrazol-5-yl)thio]ethanone Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C23H23N5OS/c1-17-15-21(18(2)27(17)14-13-19-9-5-3-6-10-19)22(29)16-30-23-24-25-26-28(23)20-11-7-4-8-12-20/h3-12,15H,13-14,16H2,1-2H3