3-[(4-methoxyphenyl)methylsulfanyl]-5-phenyl-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(4-methoxyphenyl)methylsulfanyl]-5-phenyl-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[(4-methoxyphenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 3-[(4-methoxyphenyl)methylthio]-5-phenyl-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(4-methoxyphenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 4-benzyl-3-(p-anisylthio)-5-phenyl-1,2,4-triazole Formula: C23H21N3OS MolecularWeight: 387.49734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3OS/c1-27-21-14-12-19(13-15-21)17-28-23-25-24-22(20-10-6-3-7-11-20)26(23)16-18-8-4-2-5-9-18/h2-15H,16-17H2,1H3