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

Systemtic Name: 5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)carbamothioylamino]-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)carbamothioylamino]-1,2,4-triazole-3-thiolate CAS Name: 5-(4-tert-butylphenyl)-4-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)carbamothioylamino]-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-tert-butylphenyl)-4-[(4-chlorophenyl)thiocarbamoylamino]-1,2,4-triazole-3-thiolate Formula: C19H19ClN5S2- MolecularWeight: 416.97066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2NC(=S)NC3=CC=C(C=C3)Cl)[S-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2NC(=S)NC3=CC=C(C=C3)Cl)[S-]

InChI

InChI=1S/C19H20ClN5S2/c1-19(2,3)13-6-4-12(5-7-13)16-22-23-18(27)25(16)24-17(26)21-15-10-8-14(20)9-11-15/h4-11H,1-3H3,(H,23,27)(H2,21,24,26)/p-1