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

Systemtic Name: 5-(3-chloranyl-1-benzothiophen-2-yl)-2-[(4-methylpiperazin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione hydrochloride Openeye Name: 5-(3-chlorobenzothiophen-2-yl)-2-[(4-methylpiperazin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione hydrochloride CAS Name: 5-(3-chloro-1-benzothiophen-2-yl)-2-[(4-methyl-1-piperazinyl)methyl]-4-phenyl-1,2,4-triazole-3-thione hydrochloride IUPAC Name: 5-(3-chloro-1-benzothiophen-2-yl)-2-[(4-methylpiperazin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione hydrochloride Traditional Name: 5-(3-chlorobenzothiophen-2-yl)-2-[(4-methylpiperazino)methyl]-4-phenyl-1,2,4-triazole-3-thione hydrochloride Formula: C22H23Cl2N5S2 MolecularWeight: 492.48752

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CN2C(=S)N(C(=N2)C3=C(C4=CC=CC=C4S3)Cl)C5=CC=CC=C5.Cl

Isomeric SMILES

CN1CCN(CC1)CN2C(=S)N(C(=N2)C3=C(C4=CC=CC=C4S3)Cl)C5=CC=CC=C5.Cl

InChI

InChI=1S/C22H22ClN5S2.ClH/c1-25-11-13-26(14-12-25)15-27-22(29)28(16-7-3-2-4-8-16)21(24-27)20-19(23)17-9-5-6-10-18(17)30-20;/h2-10H,11-15H2,1H3;1H