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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-phenethyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-chlorophenyl)methylsulfanyl]-5-phenethyl-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-5-phenethyl-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-phenethyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-chlorobenzyl)thio]-5-phenethyl-1,2,4-triazole Formula: C20H20ClN3S MolecularWeight: 369.9109

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)CCC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)CCC3=CC=CC=C3

InChI

InChI=1S/C20H20ClN3S/c1-2-14-24-19(13-10-16-6-4-3-5-7-16)22-23-20(24)25-15-17-8-11-18(21)12-9-17/h2-9,11-12H,1,10,13-15H2