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

Systemtic Name: 1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-[(1-phenyl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone Traditional Name: 1-(1-isopropyl-2,5-dimethyl-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:

CC1=CC(=C(N1C(C)C)C)C(=O)CSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)CSC2=NN=NN2C3=CC=CC=C3

InChI

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