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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-chlorophenyl)methylsulfanyl]-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-5-[(4-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-chlorobenzyl)thio]-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazole Formula: C22H24ClN3OS MolecularWeight: 413.96346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H24ClN3OS/c1-4-13-26-21(14-27-20-11-7-18(8-12-20)16(2)3)24-25-22(26)28-15-17-5-9-19(23)10-6-17/h4-12,16H,1,13-15H2,2-3H3