[5-(2-chloranylprop-2-enylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl-methyl-(2-methylpropyl)azanium

Systemtic Name: [5-(2-chloranylprop-2-enylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl-methyl-(2-methylpropyl)azanium Openeye Name: [4-allyl-5-(2-chloroallylsulfanyl)-1,2,4-triazol-3-yl]methyl-isobutyl-methyl-ammonium CAS Name: [5-(2-chloroprop-2-enylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl-methyl-(2-methylpropyl)ammonium IUPAC Name: [5-(2-chloroprop-2-enylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl-methyl-(2-methylpropyl)azanium Traditional Name: [4-allyl-5-(2-chloroallylthio)-1,2,4-triazol-3-yl]methyl-isobutyl-methyl-ammonium Formula: C14H24ClN4S+ MolecularWeight: 315.88516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](C)CC1=NN=C(N1CC=C)SCC(=C)Cl

Isomeric SMILES

CC(C)C[NH+](C)CC1=NN=C(N1CC=C)SCC(=C)Cl

InChI

InChI=1S/C14H23ClN4S/c1-6-7-19-13(9-18(5)8-11(2)3)16-17-14(19)20-10-12(4)15/h6,11H,1,4,7-10H2,2-3,5H3/p+1