2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-benzhydrylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-benzhydrylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-benzhydrylpiperazin-4-ium-1-yl)ethanone Formula: C21H25N6OS+ MolecularWeight: 409.5278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSC4=NNC(=N4)N

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSC4=NNC(=N4)N

InChI

InChI=1S/C21H24N6OS/c22-20-23-21(25-24-20)29-15-18(28)26-11-13-27(14-12-26)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,19H,11-15H2,(H3,22,23,24,25)/p+1