3-[2-(4-methoxyphenyl)ethylsulfanyl]-5-(3-methylphenyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[2-(4-methoxyphenyl)ethylsulfanyl]-5-(3-methylphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[2-(4-methoxyphenyl)ethylsulfanyl]-5-(m-tolyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[2-(4-methoxyphenyl)ethylthio]-5-(3-methylphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[2-(4-methoxyphenyl)ethylsulfanyl]-5-(3-methylphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[2-(4-methoxyphenyl)ethylthio]-5-(m-tolyl)-4-phenyl-1,2,4-triazole Formula: C24H23N3OS MolecularWeight: 401.52392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCCC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCCC4=CC=C(C=C4)OC

InChI

InChI=1S/C24H23N3OS/c1-18-7-6-8-20(17-18)23-25-26-24(27(23)21-9-4-3-5-10-21)29-16-15-19-11-13-22(28-2)14-12-19/h3-14,17H,15-16H2,1-2H3