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

Systemtic Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-cyclopentyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(3-chlorophenyl)methylsulfanyl]-5-cyclopentyl-1,2,4-triazole CAS Name: 3-[(3-chlorophenyl)methylthio]-5-cyclopentyl-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-cyclopentyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(3-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=C2)Cl)C3CCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)Cl)C3CCCC3

InChI

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