3-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-bis(4-methylphenyl)-1,2,4-triazole

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-bis(4-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-bis(p-tolyl)-1,2,4-triazole CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-4,5-bis(4-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-bis(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(2,5-dimethylbenzyl)thio]-4,5-bis(p-tolyl)-1,2,4-triazole Formula: C25H25N3S MolecularWeight: 399.5511

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC4=C(C=CC(=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C25H25N3S/c1-17-6-11-21(12-7-17)24-26-27-25(28(24)23-13-8-18(2)9-14-23)29-16-22-15-19(3)5-10-20(22)4/h5-15H,16H2,1-4H3