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

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanone Openeye Name: 2-(1-benzyltetrazol-5-yl)sulfanyl-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[[1-(phenylmethyl)-5-tetrazolyl]thio]ethanone IUPAC Name: 2-(1-benzyltetrazol-5-yl)sulfanyl-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 2-[(1-benzyltetrazol-5-yl)thio]-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NN=NN3CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NN=NN3CC4=CC=CC=C4

InChI

InChI=1S/C19H21N5OS/c1-13-10-17(14(2)24(13)16-8-9-16)18(25)12-26-19-20-21-22-23(19)11-15-6-4-3-5-7-15/h3-7,10,16H,8-9,11-12H2,1-2H3