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

Systemtic Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-N-phenyl-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-N-phenyl-1H-1,2,4-triazol-5-amine CAS Name: 3-[(3,5-dimethylphenyl)methylthio]-N-phenyl-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-N-phenyl-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(3,5-dimethylbenzyl)thio]-1H-1,2,4-triazol-5-yl]-phenyl-amine Formula: C17H18N4S MolecularWeight: 310.41662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSC2=NNC(=N2)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSC2=NNC(=N2)NC3=CC=CC=C3)C

InChI

InChI=1S/C17H18N4S/c1-12-8-13(2)10-14(9-12)11-22-17-19-16(20-21-17)18-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3,(H2,18,19,20,21)