N-[2-[5-[(4-methylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide

Systemtic Name: N-[2-[5-[(4-methylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: N-[2-[4-phenyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide CAS Name: N-[2-[5-[(4-methylphenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: N-[2-[5-[(4-methylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: N-[2-[5-[(4-methylbenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C25H24N4OS MolecularWeight: 428.54926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)CCNC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)CCNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H24N4OS/c1-19-12-14-20(15-13-19)18-31-25-28-27-23(29(25)22-10-6-3-7-11-22)16-17-26-24(30)21-8-4-2-5-9-21/h2-15H,16-18H2,1H3,(H,26,30)