3-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-5-propan-2-yl-1,2,4-triazole

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-5-propan-2-yl-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-isopropyl-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-4-phenyl-5-propan-2-yl-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-5-propan-2-yl-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-5-isopropyl-4-phenyl-1,2,4-triazole Formula: C18H18ClN3S MolecularWeight: 343.87362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2=CC=CC=C2)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C1=NN=C(N1C2=CC=CC=C2)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3S/c1-13(2)17-20-21-18(22(17)16-6-4-3-5-7-16)23-12-14-8-10-15(19)11-9-14/h3-11,13H,12H2,1-2H3