4-[[3-butyl-5-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]phenol

Systemtic Name: 4-[[3-butyl-5-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]phenol Openeye Name: 4-[[3-butyl-5-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]phenol CAS Name: 4-[[3-butyl-5-[(4-chlorophenyl)methylthio]-1,2,4-triazol-4-yl]methyl]phenol IUPAC Name: 4-[[3-butyl-5-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]phenol Traditional Name: 4-[[3-butyl-5-[(4-chlorobenzyl)thio]-1,2,4-triazol-4-yl]methyl]phenol Formula: C20H22ClN3OS MolecularWeight: 387.92618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)O)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)O)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3OS/c1-2-3-4-19-22-23-20(26-14-16-5-9-17(21)10-6-16)24(19)13-15-7-11-18(25)12-8-15/h5-12,25H,2-4,13-14H2,1H3