5-[[(4-tert-butylphenyl)carbonylamino]methyl]-4-(3-chlorophenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[[(4-tert-butylphenyl)carbonylamino]methyl]-4-(3-chlorophenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-[[(4-tert-butylbenzoyl)amino]methyl]-4-(3-chlorophenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[[[(4-tert-butylphenyl)-oxomethyl]amino]methyl]-4-(3-chlorophenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[[(4-tert-butylbenzoyl)amino]methyl]-4-(3-chlorophenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-[[(4-tert-butylbenzoyl)amino]methyl]-4-(3-chlorophenyl)-1,2,4-triazole-3-thiolate Formula: C20H20ClN4OS- MolecularWeight: 399.917

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC(=CC=C3)Cl)[S-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC(=CC=C3)Cl)[S-]

InChI

InChI=1S/C20H21ClN4OS/c1-20(2,3)14-9-7-13(8-10-14)18(26)22-12-17-23-24-19(27)25(17)16-6-4-5-15(21)11-16/h4-11H,12H2,1-3H3,(H,22,26)(H,24,27)/p-1