2-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-prop-2-ynyl-acetamide CAS Name: 2-[[1-(2,6-dimethylphenyl)-5-tetrazolyl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-prop-2-ynylacetamide Traditional Name: 2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]thio]-N-propargyl-acetamide Formula: C14H15N5OS MolecularWeight: 301.3668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=NN=N2)SCC(=O)NCC#C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=NN=N2)SCC(=O)NCC#C

InChI

InChI=1S/C14H15N5OS/c1-4-8-15-12(20)9-21-14-16-17-18-19(14)13-10(2)6-5-7-11(13)3/h1,5-7H,8-9H2,2-3H3,(H,15,20)