3-[(4-chlorophenyl)methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-5-cyclopropyl-4-methyl-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-5-cyclopropyl-4-methyl-1,2,4-triazole Formula: C13H14ClN3S MolecularWeight: 279.78836

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)Cl)C3CC3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)Cl)C3CC3

InChI

InChI=1S/C13H14ClN3S/c1-17-12(10-4-5-10)15-16-13(17)18-8-9-2-6-11(14)7-3-9/h2-3,6-7,10H,4-5,8H2,1H3