2-[4-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-[(5-tert-butyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-[(5-tert-butyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C16H29N6OS+ MolecularWeight: 353.50606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=S)N(N1)CN2CC[NH+](CC2)CC(=O)NCC=C

Isomeric SMILES

CC(C)(C)C1=NC(=S)N(N1)CN2CC[NH+](CC2)CC(=O)NCC=C

InChI

InChI=1S/C16H28N6OS/c1-5-6-17-13(23)11-20-7-9-21(10-8-20)12-22-15(24)18-14(19-22)16(2,3)4/h5H,1,6-12H2,2-4H3,(H,17,23)(H,18,19,24)/p+1