3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(1,3-diphenyl-4-pyrazolyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(1,3-diphenylpyrazol-4-yl)methylthio]-1,2,4-triazol-4-yl]amine Formula: C18H16N6S MolecularWeight: 348.42484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CSC3=NN=CN3N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CSC3=NN=CN3N)C4=CC=CC=C4

InChI

InChI=1S/C18H16N6S/c19-23-13-20-21-18(23)25-12-15-11-24(16-9-5-2-6-10-16)22-17(15)14-7-3-1-4-8-14/h1-11,13H,12,19H2