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

Systemtic Name: 3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]thio]-6-phenyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(4-benzylpiperazino)-2-keto-ethyl]thio]-6-phenyl-1,2,4-triazin-5-olate Formula: C22H22N5O2S- MolecularWeight: 420.50738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CSC3=NC(=C(N=N3)C4=CC=CC=C4)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CSC3=NC(=C(N=N3)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C22H23N5O2S/c28-19(27-13-11-26(12-14-27)15-17-7-3-1-4-8-17)16-30-22-23-21(29)20(24-25-22)18-9-5-2-6-10-18/h1-10H,11-16H2,(H,23,25,29)/p-1