5-(3-chloranyl-1-benzothiophen-2-yl)-4-phenyl-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione hydrochloride

Systemtic Name: 5-(3-chloranyl-1-benzothiophen-2-yl)-4-phenyl-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione hydrochloride Openeye Name: 2-[(4-benzylpiperazin-1-yl)methyl]-5-(3-chlorobenzothiophen-2-yl)-4-phenyl-1,2,4-triazole-3-thione hydrochloride CAS Name: 5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione hydrochloride IUPAC Name: 2-[(4-benzylpiperazin-1-yl)methyl]-5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazole-3-thione hydrochloride Traditional Name: 2-[(4-benzylpiperazino)methyl]-5-(3-chlorobenzothiophen-2-yl)-4-phenyl-1,2,4-triazole-3-thione hydrochloride Formula: C28H27Cl2N5S2 MolecularWeight: 568.58348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=C(C5=CC=CC=C5S4)Cl)C6=CC=CC=C6.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=C(C5=CC=CC=C5S4)Cl)C6=CC=CC=C6.Cl

InChI

InChI=1S/C28H26ClN5S2.ClH/c29-25-23-13-7-8-14-24(23)36-26(25)27-30-33(28(35)34(27)22-11-5-2-6-12-22)20-32-17-15-31(16-18-32)19-21-9-3-1-4-10-21;/h1-14H,15-20H2;1H