2-[[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]methyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]methyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-benzyl-2-[[(5-chloro-2-thienyl)methyl-ethyl-amino]methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[(5-chloro-2-thiophenyl)methyl-ethylamino]methyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-benzyl-2-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 5-benzyl-2-[[(5-chloro-2-thienyl)methyl-ethyl-amino]methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C18H21ClN4S2 MolecularWeight: 392.96914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Cl)CN2C(=S)N(C(=N2)CC3=CC=CC=C3)C

Isomeric SMILES

CCN(CC1=CC=C(S1)Cl)CN2C(=S)N(C(=N2)CC3=CC=CC=C3)C

InChI

InChI=1S/C18H21ClN4S2/c1-3-22(12-15-9-10-16(19)25-15)13-23-18(24)21(2)17(20-23)11-14-7-5-4-6-8-14/h4-10H,3,11-13H2,1-2H3