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

Systemtic Name: 5-(3-chloranyl-1-benzothiophen-2-yl)-4-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(3-chlorobenzothiophen-2-yl)-4-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-2-[(4-phenyl-1-piperazinyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(3-chlorobenzothiophen-2-yl)-4-phenyl-2-[(4-phenylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C27H24ClN5S2 MolecularWeight: 518.09596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)N(C(=N2)C3=C(C4=CC=CC=C4S3)Cl)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CN2C(=S)N(C(=N2)C3=C(C4=CC=CC=C4S3)Cl)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C27H24ClN5S2/c28-24-22-13-7-8-14-23(22)35-25(24)26-29-32(27(34)33(26)21-11-5-2-6-12-21)19-30-15-17-31(18-16-30)20-9-3-1-4-10-20/h1-14H,15-19H2