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

Systemtic Name: 3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(4-benzylpiperazino)-2-keto-ethyl]thio]-1,2,4-triazin-5-olate Formula: C16H18N5O2S- MolecularWeight: 344.41142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O2S/c22-14-10-17-19-16(18-14)24-12-15(23)21-8-6-20(7-9-21)11-13-4-2-1-3-5-13/h1-5,10H,6-9,11-12H2,(H,18,19,22)/p-1