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

Systemtic Name: 5-(4-tert-butylphenyl)-4-[(4-methylphenyl)carbamothioylamino]-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-tert-butylphenyl)-4-(p-tolylcarbamothioylamino)-1,2,4-triazole-3-thiolate CAS Name: 5-(4-tert-butylphenyl)-4-[[(4-methylanilino)-sulfanylidenemethyl]amino]-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-tert-butylphenyl)-4-[(4-methylphenyl)carbamothioylamino]-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-tert-butylphenyl)-4-(p-tolylthiocarbamoylamino)-1,2,4-triazole-3-thiolate Formula: C20H22N5S2- MolecularWeight: 396.55218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NN2C(=NN=C2[S-])C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NN2C(=NN=C2[S-])C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C20H23N5S2/c1-13-5-11-16(12-6-13)21-18(26)24-25-17(22-23-19(25)27)14-7-9-15(10-8-14)20(2,3)4/h5-12H,1-4H3,(H,23,27)(H2,21,24,26)/p-1