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

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-5-(4-ethylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(2,5-dimethylbenzyl)thio]-5-(4-ethylphenyl)-1H-1,2,4-triazole Formula: C19H21N3S MolecularWeight: 323.45514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C19H21N3S/c1-4-15-7-9-16(10-8-15)18-20-19(22-21-18)23-12-17-11-13(2)5-6-14(17)3/h5-11H,4,12H2,1-3H3,(H,20,21,22)