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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O2S/c28-19-15-23-25-22(24-19)30-16-20(29)26-11-13-27(14-12-26)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15,21H,11-14,16H2,(H,24,25,28)/p-1