3-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-6-(phenylmethyl)-1,2,4-triazin-5-olate

Systemtic Name: 3-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-6-(phenylmethyl)-1,2,4-triazin-5-olate Openeye Name: 3-(2-anilino-2-oxo-ethyl)sulfanyl-6-benzyl-1,2,4-triazin-5-olate CAS Name: 3-[(2-anilino-2-oxoethyl)thio]-6-(phenylmethyl)-1,2,4-triazin-5-olate IUPAC Name: 3-(2-anilino-2-oxoethyl)sulfanyl-6-benzyl-1,2,4-triazin-5-olate Traditional Name: 3-[(2-anilino-2-keto-ethyl)thio]-6-benzyl-1,2,4-triazin-5-olate Formula: C18H15N4O2S- MolecularWeight: 351.4023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(N=C(N=N2)SCC(=O)NC3=CC=CC=C3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(N=C(N=N2)SCC(=O)NC3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H16N4O2S/c23-16(19-14-9-5-2-6-10-14)12-25-18-20-17(24)15(21-22-18)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,19,23)(H,20,22,24)/p-1