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

Systemtic Name: 3-(5-azanyl-1-phenyl-pyrazol-4-yl)-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(5-amino-1-phenyl-pyrazol-4-yl)-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(5-amino-1-phenyl-4-pyrazolyl)-5-[(2-chlorophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(5-amino-1-phenylpyrazol-4-yl)-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [4-[4-amino-5-[(2-chlorobenzyl)thio]-1,2,4-triazol-3-yl]-2-phenyl-pyrazol-3-yl]amine Formula: C18H16ClN7S MolecularWeight: 397.88454

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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=CC=C4Cl)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C3=NN=C(N3N)SCC4=CC=CC=C4Cl)N

InChI

InChI=1S/C18H16ClN7S/c19-15-9-5-4-6-12(15)11-27-18-24-23-17(25(18)21)14-10-22-26(16(14)20)13-7-2-1-3-8-13/h1-10H,11,20-21H2