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

Systemtic Name: 2-[(5-azanyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-benzhydrylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)thio]-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-benzhydrylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-benzhydrylpiperazin-4-ium-1-yl)ethanone Formula: C27H29N6OS+ MolecularWeight: 485.62376

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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=NN=C(N4C5=CC=CC=C5)N

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSC4=NN=C(N4C5=CC=CC=C5)N

InChI

InChI=1S/C27H28N6OS/c28-26-29-30-27(33(26)23-14-8-3-9-15-23)35-20-24(34)31-16-18-32(19-17-31)25(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-15,25H,16-20H2,(H2,28,29)/p+1