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

Systemtic Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanone CAS Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(1-phenyl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylethanone Traditional Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(1-phenyltetrazol-5-yl)thio]ethanone Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2S/c1-15-13-20(16(2)26(15)17-9-11-19(29-3)12-10-17)21(28)14-30-22-23-24-25-27(22)18-7-5-4-6-8-18/h4-13H,14H2,1-3H3