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

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(1-phenyl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(1-phenyltetrazol-5-yl)thio]ethanone Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C17H17N5O2S/c1-10-15(12(3)23)11(2)18-16(10)14(24)9-25-17-19-20-21-22(17)13-7-5-4-6-8-13/h4-8,18H,9H2,1-3H3