3-[(2R)-1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-6-methyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[(2R)-1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[(1R)-1-[(5-chloro-2-pyridyl)carbamoyl]propyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxobutan-2-yl]thio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[(2R)-1-[(5-chloropyridin-2-yl)amino]-1-oxobutan-2-yl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[[(1R)-1-[(5-chloro-2-pyridyl)carbamoyl]propyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C13H13ClN5O2S- MolecularWeight: 338.79262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC=C(C=C1)Cl)SC2=NC(=C(N=N2)C)[O-]

Isomeric SMILES

CC[C@H](C(=O)NC1=NC=C(C=C1)Cl)SC2=NC(=C(N=N2)C)[O-]

InChI

InChI=1S/C13H14ClN5O2S/c1-3-9(22-13-17-11(20)7(2)18-19-13)12(21)16-10-5-4-8(14)6-15-10/h4-6,9H,3H2,1-2H3,(H,15,16,21)(H,17,19,20)/p-1/t9-/m1/s1