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

Systemtic Name: [5-(2-chloranylprop-2-enylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl-methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [4-allyl-5-(2-chloroallylsulfanyl)-1,2,4-triazol-3-yl]methyl-methyl-(3-pyridylmethyl)ammonium CAS Name: [5-(2-chloroprop-2-enylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl-methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [5-(2-chloroprop-2-enylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl-methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [4-allyl-5-(2-chloroallylthio)-1,2,4-triazol-3-yl]methyl-methyl-(3-pyridylmethyl)ammonium Formula: C16H21ClN5S+ MolecularWeight: 350.88944

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN=CC=C1)CC2=NN=C(N2CC=C)SCC(=C)Cl

Isomeric SMILES

C[NH+](CC1=CN=CC=C1)CC2=NN=C(N2CC=C)SCC(=C)Cl

InChI

InChI=1S/C16H20ClN5S/c1-4-8-22-15(19-20-16(22)23-12-13(2)17)11-21(3)10-14-6-5-7-18-9-14/h4-7,9H,1-2,8,10-12H2,3H3/p+1