3-[(2,5-dimethylphenyl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine Openeye Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(3-pyridyl)-1,2,4-triazol-4-amine CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-5-(3-pyridinyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine Traditional Name: [3-[(2,5-dimethylbenzyl)thio]-5-(3-pyridyl)-1,2,4-triazol-4-yl]amine Formula: C16H17N5S MolecularWeight: 311.40468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2N)C3=CN=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2N)C3=CN=CC=C3

InChI

InChI=1S/C16H17N5S/c1-11-5-6-12(2)14(8-11)10-22-16-20-19-15(21(16)17)13-4-3-7-18-9-13/h3-9H,10,17H2,1-2H3