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

Systemtic Name: 2-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-prop-2-ynyl-acetamide CAS Name: 2-[[1-(4-butylphenyl)-5-tetrazolyl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-prop-2-ynylacetamide Traditional Name: 2-[[1-(4-butylphenyl)tetrazol-5-yl]thio]-N-propargyl-acetamide Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NCC#C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NCC#C

InChI

InChI=1S/C16H19N5OS/c1-3-5-6-13-7-9-14(10-8-13)21-16(18-19-20-21)23-12-15(22)17-11-4-2/h2,7-10H,3,5-6,11-12H2,1H3,(H,17,22)