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

Systemtic Name: 6-methyl-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-6-methyl-1,2,4-triazin-5-olate CAS Name: 6-methyl-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-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(4-benzylpiperazino)-2-keto-ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C17H20N5O2S- MolecularWeight: 358.438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCC(=O)N2CCN(CC2)CC3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCC(=O)N2CCN(CC2)CC3=CC=CC=C3)[O-]

InChI

InChI=1S/C17H21N5O2S/c1-13-16(24)18-17(20-19-13)25-12-15(23)22-9-7-21(8-10-22)11-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3,(H,18,20,24)/p-1