5-(4-tert-butylphenyl)-4-phenyl-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-tert-butylphenyl)-4-phenyl-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(4-tert-butylphenyl)-4-phenyl-2-(1-piperidylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-tert-butylphenyl)-4-phenyl-2-(1-piperidinylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(4-tert-butylphenyl)-4-phenyl-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(4-tert-butylphenyl)-4-phenyl-2-(piperidinomethyl)-1,2,4-triazole-3-thione Formula: C24H30N4S MolecularWeight: 406.5868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCCCC4

InChI

InChI=1S/C24H30N4S/c1-24(2,3)20-14-12-19(13-15-20)22-25-27(18-26-16-8-5-9-17-26)23(29)28(22)21-10-6-4-7-11-21/h4,6-7,10-15H,5,8-9,16-18H2,1-3H3