4-(3,4-dimethylphenyl)-3-[2-(4-methylphenyl)sulfanylethylsulfanyl]-5-phenyl-1,2,4-triazole

Systemtic Name: 4-(3,4-dimethylphenyl)-3-[2-(4-methylphenyl)sulfanylethylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-(3,4-dimethylphenyl)-3-phenyl-5-[2-(p-tolylsulfanyl)ethylsulfanyl]-1,2,4-triazole CAS Name: 4-(3,4-dimethylphenyl)-3-[2-[(4-methylphenyl)thio]ethylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(3,4-dimethylphenyl)-3-[2-(4-methylphenyl)sulfanylethylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 4-(3,4-dimethylphenyl)-3-phenyl-5-[2-(p-tolylthio)ethylthio]-1,2,4-triazole Formula: C25H25N3S2 MolecularWeight: 431.6161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCSC2=NN=C(N2C3=CC(=C(C=C3)C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SCCSC2=NN=C(N2C3=CC(=C(C=C3)C)C)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3S2/c1-18-9-13-23(14-10-18)29-15-16-30-25-27-26-24(21-7-5-4-6-8-21)28(25)22-12-11-19(2)20(3)17-22/h4-14,17H,15-16H2,1-3H3