3-(chloromethyl)-4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazole

Systemtic Name: 3-(chloromethyl)-4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazole Openeye Name: 3-allylsulfanyl-5-(chloromethyl)-4-methyl-1,2,4-triazole CAS Name: 3-(chloromethyl)-4-methyl-5-(prop-2-enylthio)-1,2,4-triazole IUPAC Name: 3-(chloromethyl)-4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazole Traditional Name: 3-(allylthio)-5-(chloromethyl)-4-methyl-1,2,4-triazole Formula: C7H10ClN3S MolecularWeight: 203.6924

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC=C)CCl

Isomeric SMILES

CN1C(=NN=C1SCC=C)CCl

InChI

InChI=1S/C7H10ClN3S/c1-3-4-12-7-10-9-6(5-8)11(7)2/h3H,1,4-5H2,2H3