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

Systemtic Name: 2-[(4-ethylpiperazin-1-yl)methyl]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-[(4-ethylpiperazin-1-yl)methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 2-[(4-ethyl-1-piperazinyl)methyl]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-[(4-ethylpiperazin-1-yl)methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-[(4-ethylpiperazino)methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C20H25N5S2 MolecularWeight: 399.576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C20H25N5S2/c1-2-22-10-12-23(13-11-22)16-25-20(26)24(15-17-7-4-3-5-8-17)19(21-25)18-9-6-14-27-18/h3-9,14H,2,10-13,15-16H2,1H3