3-[(3,5-dimethylphenyl)methylsulfanyl]-N-(4-methylphenyl)-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-N-(4-methylphenyl)-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-N-(p-tolyl)-1H-1,2,4-triazol-5-amine CAS Name: 3-[(3,5-dimethylphenyl)methylthio]-N-(4-methylphenyl)-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-N-(4-methylphenyl)-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(3,5-dimethylbenzyl)thio]-1H-1,2,4-triazol-5-yl]-(p-tolyl)amine Formula: C18H20N4S MolecularWeight: 324.4432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NN2)SCC3=CC(=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NN2)SCC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C18H20N4S/c1-12-4-6-16(7-5-12)19-17-20-18(22-21-17)23-11-15-9-13(2)8-14(3)10-15/h4-10H,11H2,1-3H3,(H2,19,20,21,22)