3-(4-methoxyphenyl)-5-[(3-methylphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazole

Systemtic Name: 3-(4-methoxyphenyl)-5-[(3-methylphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazole Openeye Name: 3-(4-methoxyphenyl)-5-(m-tolylmethylsulfanyl)-4-phenethyl-1,2,4-triazole CAS Name: 3-(4-methoxyphenyl)-5-[(3-methylphenyl)methylthio]-4-phenethyl-1,2,4-triazole IUPAC Name: 3-(4-methoxyphenyl)-5-[(3-methylphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazole Traditional Name: 3-(4-methoxyphenyl)-5-[(3-methylbenzyl)thio]-4-phenethyl-1,2,4-triazole Formula: C25H25N3OS MolecularWeight: 415.5505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H25N3OS/c1-19-7-6-10-21(17-19)18-30-25-27-26-24(22-11-13-23(29-2)14-12-22)28(25)16-15-20-8-4-3-5-9-20/h3-14,17H,15-16,18H2,1-2H3