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

Systemtic Name: 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-benzhydrylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-benzhydrylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-(4-benzhydrylpiperazin-4-ium-1-yl)ethanone Formula: C21H24N5OS2+ MolecularWeight: 426.57816

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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(S4)N

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSC4=NN=C(S4)N

InChI

InChI=1S/C21H23N5OS2/c22-20-23-24-21(29-20)28-15-18(27)25-11-13-26(14-12-25)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,19H,11-15H2,(H2,22,23)/p+1