3-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-6-(phenylmethyl)-1,2,4-triazin-5-olate

Systemtic Name: 3-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-6-(phenylmethyl)-1,2,4-triazin-5-olate Openeye Name: 6-benzyl-3-[2-oxo-2-(thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-oxo-2-(2-thiazolylamino)ethyl]thio]-6-(phenylmethyl)-1,2,4-triazin-5-olate IUPAC Name: 6-benzyl-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 6-benzyl-3-[[2-keto-2-(thiazol-2-ylamino)ethyl]thio]-1,2,4-triazin-5-olate Formula: C15H12N5O2S2- MolecularWeight: 358.41808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(N=C(N=N2)SCC(=O)NC3=NC=CS3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(N=C(N=N2)SCC(=O)NC3=NC=CS3)[O-]

InChI

InChI=1S/C15H13N5O2S2/c21-12(17-14-16-6-7-23-14)9-24-15-18-13(22)11(19-20-15)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,16,17,21)(H,18,20,22)/p-1