4-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one

Systemtic Name: 4-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]sulfanyl-1-(2-thienyl)butan-1-one CAS Name: 4-[[1-(2-methoxy-5-methylphenyl)-5-tetrazolyl]thio]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]thio]-1-(2-thienyl)butan-1-one Formula: C17H18N4O2S2 MolecularWeight: 374.48042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O2S2/c1-12-7-8-15(23-2)13(11-12)21-17(18-19-20-21)25-10-3-5-14(22)16-6-4-9-24-16/h4,6-9,11H,3,5,10H2,1-2H3