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

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-[(1-cyclopropyl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylethanone Traditional Name: 2-[(1-cyclopropyltetrazol-5-yl)thio]-1-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)ethanone Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NN=NN4C5CC5

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NN=NN4C5CC5

InChI

InChI=1S/C20H21N5O3S/c1-12-7-16(17(26)10-29-20-21-22-23-25(20)15-4-5-15)13(2)24(12)9-14-3-6-18-19(8-14)28-11-27-18/h3,6-8,15H,4-5,9-11H2,1-2H3