3-[(1S)-2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[(1S)-2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[(1S)-2-(4-chloro-3-nitro-anilino)-2-oxo-1-phenyl-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[[(1S)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]thio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[(1S)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[[(1S)-2-(4-chloro-3-nitro-anilino)-2-keto-1-phenyl-ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C18H13ClN5O4S- MolecularWeight: 430.84492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)S[C@@H](C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H14ClN5O4S/c1-10-16(25)21-18(23-22-10)29-15(11-5-3-2-4-6-11)17(26)20-12-7-8-13(19)14(9-12)24(27)28/h2-9,15H,1H3,(H,20,26)(H,21,23,25)/p-1/t15-/m0/s1