4-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one

Systemtic Name: 4-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(2-thienyl)butan-1-one CAS Name: 4-[[1-(2,6-dimethylphenyl)-5-tetrazolyl]thio]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]thio]-1-(2-thienyl)butan-1-one Formula: C17H18N4OS2 MolecularWeight: 358.48102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=NN=N2)SCCCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=NN=N2)SCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C17H18N4OS2/c1-12-6-3-7-13(2)16(12)21-17(18-19-20-21)24-11-4-8-14(22)15-9-5-10-23-15/h3,5-7,9-10H,4,8,11H2,1-2H3