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

Systemtic Name: 5-(5-azanyl-1-phenyl-pyrazol-4-yl)-4-(4-chlorophenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(5-amino-1-phenyl-pyrazol-4-yl)-4-(4-chlorophenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(5-amino-1-phenyl-4-pyrazolyl)-4-(4-chlorophenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(5-amino-1-phenylpyrazol-4-yl)-4-(4-chlorophenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(5-amino-1-phenyl-pyrazol-4-yl)-4-(4-chlorophenyl)-1,2,4-triazole-3-thiolate Formula: C17H12ClN6S- MolecularWeight: 367.83538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)C3=NN=C(N3C4=CC=C(C=C4)Cl)[S-])N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C3=NN=C(N3C4=CC=C(C=C4)Cl)[S-])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)/p-1