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

Systemtic Name: 2-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-prop-2-ynyl-ethanamide Openeye Name: N-prop-2-ynyl-2-[1-(p-tolyl)tetrazol-5-yl]sulfanyl-acetamide CAS Name: 2-[[1-(4-methylphenyl)-5-tetrazolyl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-prop-2-ynylacetamide Traditional Name: N-propargyl-2-[[1-(p-tolyl)tetrazol-5-yl]thio]acetamide Formula: C13H13N5OS MolecularWeight: 287.34022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5OS/c1-3-8-14-12(19)9-20-13-15-16-17-18(13)11-6-4-10(2)5-7-11/h1,4-7H,8-9H2,2H3,(H,14,19)