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

Systemtic Name: 4-[[3-butyl-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]phenol Openeye Name: 4-[[3-butyl-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]phenol CAS Name: 4-[[3-butyl-5-[(4-methoxyphenyl)methylthio]-1,2,4-triazol-4-yl]methyl]phenol IUPAC Name: 4-[[3-butyl-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]phenol Traditional Name: 4-[[3-butyl-5-(p-anisylthio)-1,2,4-triazol-4-yl]methyl]phenol Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-3-4-5-20-22-23-21(24(20)14-16-6-10-18(25)11-7-16)27-15-17-8-12-19(26-2)13-9-17/h6-13,25H,3-5,14-15H2,1-2H3