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

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(p-tolyl)-1H-1,2,4-triazole CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-5-(4-methylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(2,5-dimethylbenzyl)thio]-5-(p-tolyl)-1H-1,2,4-triazole Formula: C18H19N3S MolecularWeight: 309.42856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C18H19N3S/c1-12-5-8-15(9-6-12)17-19-18(21-20-17)22-11-16-10-13(2)4-7-14(16)3/h4-10H,11H2,1-3H3,(H,19,20,21)