3-(4-tert-butylphenyl)-4-(3-phenylpropyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(4-tert-butylphenyl)-4-(3-phenylpropyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-tert-butylphenyl)-4-(3-phenylpropyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-tert-butylphenyl)-4-(3-phenylpropyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-tert-butylphenyl)-4-(3-phenylpropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-tert-butylphenyl)-4-(3-phenylpropyl)-1H-1,2,4-triazole-5-thione Formula: C21H25N3S MolecularWeight: 351.5083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2CCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2CCCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3S/c1-21(2,3)18-13-11-17(12-14-18)19-22-23-20(25)24(19)15-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-14H,7,10,15H2,1-3H3,(H,23,25)