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

Systemtic Name: 5-(4-tert-butylphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-4-methyl-1,2,4-triazole-3-thione Openeye Name: 5-(4-tert-butylphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 5-(4-tert-butylphenyl)-2-[(4-ethyl-1-piperazinyl)methyl]-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 5-(4-tert-butylphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 5-(4-tert-butylphenyl)-2-[(4-ethylpiperazino)methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C20H31N5S MolecularWeight: 373.55864

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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H31N5S/c1-6-23-11-13-24(14-12-23)15-25-19(26)22(5)18(21-25)16-7-9-17(10-8-16)20(2,3)4/h7-10H,6,11-15H2,1-5H3