3-[(2-chlorophenyl)methylsulfanyl]-5-cyclopentyl-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-cyclopentyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2-chlorophenyl)methylsulfanyl]-5-cyclopentyl-1,2,4-triazole CAS Name: 3-[(2-chlorophenyl)methylthio]-5-cyclopentyl-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-cyclopentyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2-chlorobenzyl)thio]-5-cyclopentyl-1,2,4-triazole Formula: C17H20ClN3S MolecularWeight: 333.8788

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC=C2Cl)C3CCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC=C2Cl)C3CCCC3

InChI

InChI=1S/C17H20ClN3S/c1-2-11-21-16(13-7-3-4-8-13)19-20-17(21)22-12-14-9-5-6-10-15(14)18/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2