4-[3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-3-oxidanylidene-propyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-3-oxidanylidene-propyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-3-oxo-propyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-3-oxopropyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-3-oxopropyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[3-keto-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]propyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C20H19N6O2S2- MolecularWeight: 439.53386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCN3C(=NN=C3[S-])C4=CC=CS4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCN3C(=NN=C3[S-])C4=CC=CS4

InChI

InChI=1S/C20H20N6O2S2/c1-13-17(19(28)26(24(13)2)14-7-4-3-5-8-14)21-16(27)10-11-25-18(22-23-20(25)29)15-9-6-12-30-15/h3-9,12H,10-11H2,1-2H3,(H,21,27)(H,23,29)/p-1