3-(chloromethyl)-5-methylsulfanyl-4-propyl-1,2,4-triazole hydrochloride

Systemtic Name: 3-(chloromethyl)-5-methylsulfanyl-4-propyl-1,2,4-triazole hydrochloride Openeye Name: 3-(chloromethyl)-5-methylsulfanyl-4-propyl-1,2,4-triazole hydrochloride CAS Name: 3-(chloromethyl)-5-(methylthio)-4-propyl-1,2,4-triazole hydrochloride IUPAC Name: 3-(chloromethyl)-5-methylsulfanyl-4-propyl-1,2,4-triazole hydrochloride Traditional Name: 3-(chloromethyl)-5-(methylthio)-4-propyl-1,2,4-triazole hydrochloride Formula: C7H13Cl2N3S MolecularWeight: 242.16922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SC)CCl.Cl

Isomeric SMILES

CCCN1C(=NN=C1SC)CCl.Cl

InChI

InChI=1S/C7H12ClN3S.ClH/c1-3-4-11-6(5-8)9-10-7(11)12-2;/h3-5H2,1-2H3;1H