3-[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-[4-(diphenylmethyl)-1-piperazinyl]-2-oxoethyl]thio]-6-phenyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(4-benzhydrylpiperazino)-2-keto-ethyl]thio]-6-phenyl-1,2,4-triazin-5-olate Formula: C28H26N5O2S- MolecularWeight: 496.60334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSC4=NC(=C(N=N4)C5=CC=CC=C5)[O-]

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSC4=NC(=C(N=N4)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C28H27N5O2S/c34-24(20-36-28-29-27(35)25(30-31-28)21-10-4-1-5-11-21)32-16-18-33(19-17-32)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,26H,16-20H2,(H,29,31,35)/p-1