5-(4-tert-butylphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-tert-butylphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-(4-tert-butylphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-(4-tert-butylphenyl)-2-[(4-ethyl-1-piperazinyl)methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-(4-tert-butylphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-(4-tert-butylphenyl)-2-[(4-ethylpiperazino)methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C25H33N5S MolecularWeight: 435.62802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C25H33N5S/c1-5-27-15-17-28(18-16-27)19-29-24(31)30(22-9-7-6-8-10-22)23(26-29)20-11-13-21(14-12-20)25(2,3)4/h6-14H,5,15-19H2,1-4H3