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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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