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

Systemtic Name: 2-[[1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[1-(4-isopropylphenyl)tetrazol-5-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[[1-(4-propan-2-ylphenyl)-5-tetrazolyl]thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[(1-p-cumenyltetrazol-5-yl)thio]-1-(1H-pyrrol-2-yl)ethanone Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)C3=CC=CN3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)C3=CC=CN3

InChI

InChI=1S/C16H17N5OS/c1-11(2)12-5-7-13(8-6-12)21-16(18-19-20-21)23-10-15(22)14-4-3-9-17-14/h3-9,11,17H,10H2,1-2H3