2-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[[1-(3,4-dimethylphenyl)-5-tetrazolyl]thio]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]thio]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)C3=C(N(C(=C3)C)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)C3=C(N(C(=C3)C)C)C)C

InChI

InChI=1S/C18H21N5OS/c1-11-6-7-15(8-12(11)2)23-18(19-20-21-23)25-10-17(24)16-9-13(3)22(5)14(16)4/h6-9H,10H2,1-5H3