3-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(4-butylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-(4-butylanilino)-2-oxoethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(4-butylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(4-butylanilino)-2-keto-ethyl]thio]-1,2,4-triazin-5-olate Formula: C15H17N4O2S- MolecularWeight: 317.38608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=CN=N2)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=CN=N2)[O-]

InChI

InChI=1S/C15H18N4O2S/c1-2-3-4-11-5-7-12(8-6-11)17-14(21)10-22-15-18-13(20)9-16-19-15/h5-9H,2-4,10H2,1H3,(H,17,21)(H,18,19,20)/p-1