3-(5-azanyl-1-phenyl-pyrazol-4-yl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(5-azanyl-1-phenyl-pyrazol-4-yl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(5-amino-1-phenyl-pyrazol-4-yl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(5-amino-1-phenyl-4-pyrazolyl)-5-[(4-fluorophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(5-amino-1-phenylpyrazol-4-yl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [4-[4-amino-5-[(4-fluorobenzyl)thio]-1,2,4-triazol-3-yl]-2-phenyl-pyrazol-3-yl]amine Formula: C18H16FN7S MolecularWeight: 381.429943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)C3=NN=C(N3N)SCC4=CC=C(C=C4)F)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C3=NN=C(N3N)SCC4=CC=C(C=C4)F)N

InChI

InChI=1S/C18H16FN7S/c19-13-8-6-12(7-9-13)11-27-18-24-23-17(25(18)21)15-10-22-26(16(15)20)14-4-2-1-3-5-14/h1-10H,11,20-21H2