3-[(2S)-1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[(2S)-1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[(1S)-2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-1-methyl-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[[(2S)-1-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-1-oxopropan-2-yl]thio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[(2S)-1-(2-chloro-5-piperidin-1-ylsulfonylanilino)-1-oxopropan-2-yl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[[(1S)-2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-1-methyl-ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C18H21ClN5O4S2- MolecularWeight: 470.97344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SC(C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl)[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)S[C@@H](C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl)[O-]

InChI

InChI=1S/C18H22ClN5O4S2/c1-11-16(25)21-18(23-22-11)29-12(2)17(26)20-15-10-13(6-7-14(15)19)30(27,28)24-8-4-3-5-9-24/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,20,26)(H,21,23,25)/p-1/t12-/m0/s1