3-[3-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoate

Systemtic Name: 3-[3-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoate Openeye Name: 3-[3-[2-(4-butylanilino)-2-oxo-ethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[3-[[2-(4-butylanilino)-2-oxoethyl]thio]-5-oxo-2H-1,2,4-triazin-6-yl]propanoate IUPAC Name: 3-[3-[2-(4-butylanilino)-2-oxoethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[3-[[2-(4-butylanilino)-2-keto-ethyl]thio]-5-keto-2H-1,2,4-triazin-6-yl]propionate Formula: C18H21N4O4S- MolecularWeight: 389.44874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=NN2)CCC(=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=NN2)CCC(=O)[O-]

InChI

InChI=1S/C18H22N4O4S/c1-2-3-4-12-5-7-13(8-6-12)19-15(23)11-27-18-20-17(26)14(21-22-18)9-10-16(24)25/h5-8H,2-4,9-11H2,1H3,(H,19,23)(H,24,25)(H,20,22,26)/p-1