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

Systemtic Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-[(1-phenyl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone Traditional Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[(1-phenyltetrazol-5-yl)thio]ethanone Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)CSC2=NN=NN2C3=CC=CC=C3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)CSC2=NN=NN2C3=CC=CC=C3)C

InChI

InChI=1S/C18H21N5OS/c1-4-10-22-13(2)11-16(14(22)3)17(24)12-25-18-19-20-21-23(18)15-8-6-5-7-9-15/h5-9,11H,4,10,12H2,1-3H3