5-(4-tert-butylphenyl)-4-(phenylcarbamothioylamino)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(4-tert-butylphenyl)-4-(phenylcarbamothioylamino)-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-tert-butylphenyl)-4-(phenylcarbamothioylamino)-1,2,4-triazole-3-thiolate CAS Name: 4-[[anilino(sulfanylidene)methyl]amino]-5-(4-tert-butylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-tert-butylphenyl)-4-(phenylcarbamothioylamino)-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-tert-butylphenyl)-4-(phenylthiocarbamoylamino)-1,2,4-triazole-3-thiolate Formula: C19H20N5S2- MolecularWeight: 382.5256

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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=CC=C3)[S-]

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5S2/c1-19(2,3)14-11-9-13(10-12-14)16-21-22-18(26)24(16)23-17(25)20-15-7-5-4-6-8-15/h4-12H,1-3H3,(H,22,26)(H2,20,23,25)/p-1