1-[[1-(2-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[[1-(2-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-3,3-dimethyl-butan-2-one CAS Name: 1-[[1-(2-methoxyphenyl)-5-tetrazolyl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-3,3-dimethylbutan-2-one Traditional Name: 1-[[1-(2-methoxyphenyl)tetrazol-5-yl]thio]-3,3-dimethyl-butan-2-one Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=NN1C2=CC=CC=C2OC

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=NN1C2=CC=CC=C2OC

InChI

InChI=1S/C14H18N4O2S/c1-14(2,3)12(19)9-21-13-15-16-17-18(13)10-7-5-6-8-11(10)20-4/h5-8H,9H2,1-4H3