N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-ethoxy-aniline

Systemtic Name: N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-ethoxy-aniline Openeye Name: N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-ethoxy-aniline CAS Name: N-[[5-[(4-chlorophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-ethoxyaniline IUPAC Name: N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-ethoxyaniline Traditional Name: [5-[(4-chlorobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl-p-phenetyl-amine Formula: C24H23ClN4OS MolecularWeight: 450.98362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H23ClN4OS/c1-2-30-22-14-12-20(13-15-22)26-16-23-27-28-24(29(23)21-6-4-3-5-7-21)31-17-18-8-10-19(25)11-9-18/h3-15,26H,2,16-17H2,1H3