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

Systemtic Name: 5-(3-chloranyl-1-benzothiophen-2-yl)-4-phenyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(3-chlorobenzothiophen-2-yl)-4-phenyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(3-chlorobenzothiophen-2-yl)-4-phenyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C26H25ClN6S2+2 MolecularWeight: 521.0999

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)N(C(=N2)C3=C(C4=CC=CC=C4S3)Cl)C5=CC=CC=C5)C6=CC=CC=[NH+]6

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)N(C(=N2)C3=C(C4=CC=CC=C4S3)Cl)C5=CC=CC=C5)C6=CC=CC=[NH+]6

InChI

InChI=1S/C26H23ClN6S2/c27-23-20-10-4-5-11-21(20)35-24(23)25-29-32(26(34)33(25)19-8-2-1-3-9-19)18-30-14-16-31(17-15-30)22-12-6-7-13-28-22/h1-13H,14-18H2/p+2