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

Systemtic Name: 5-(5-azanyl-1-phenyl-pyrazol-4-yl)-4-(2,4-dichlorophenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(5-amino-1-phenyl-pyrazol-4-yl)-4-(2,4-dichlorophenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(5-amino-1-phenyl-4-pyrazolyl)-4-(2,4-dichlorophenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(5-amino-1-phenylpyrazol-4-yl)-4-(2,4-dichlorophenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(5-amino-1-phenyl-pyrazol-4-yl)-4-(2,4-dichlorophenyl)-1,2,4-triazole-3-thiolate Formula: C17H11Cl2N6S- MolecularWeight: 402.28044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12Cl2N6S/c18-10-6-7-14(13(19)8-10)24-16(22-23-17(24)26)12-9-21-25(15(12)20)11-4-2-1-3-5-11/h1-9H,20H2,(H,23,26)/p-1