3-(5-azanyl-1-phenyl-pyrazol-4-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(5-azanyl-1-phenyl-pyrazol-4-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(5-amino-1-phenyl-pyrazol-4-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(5-amino-1-phenyl-4-pyrazolyl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(5-amino-1-phenylpyrazol-4-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(5-amino-1-phenyl-pyrazol-4-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione Formula: C17H13ClN6S MolecularWeight: 368.84332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)C3=NNC(=S)N3C4=CC=C(C=C4)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C3=NNC(=S)N3C4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C17H13ClN6S/c18-11-6-8-12(9-7-11)23-16(21-22-17(23)25)14-10-20-24(15(14)19)13-4-2-1-3-5-13/h1-10H,19H2,(H,22,25)