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

Systemtic Name: 3-[4-azanyl-3-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-1,2,4-triazin-6-yl]propanoate Openeye Name: 3-[4-amino-3-[2-(4-butylanilino)-2-oxo-ethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[4-amino-3-[[2-(4-butylanilino)-2-oxoethyl]thio]-5-oxo-1,2,4-triazin-6-yl]propanoate IUPAC Name: 3-[4-amino-3-[2-(4-butylanilino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[4-amino-3-[[2-(4-butylanilino)-2-keto-ethyl]thio]-5-keto-1,2,4-triazin-6-yl]propionate Formula: C18H22N5O4S- MolecularWeight: 404.46338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C(=O)N2N)CCC(=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C(=O)N2N)CCC(=O)[O-]

InChI

InChI=1S/C18H23N5O4S/c1-2-3-4-12-5-7-13(8-6-12)20-15(24)11-28-18-22-21-14(9-10-16(25)26)17(27)23(18)19/h5-8H,2-4,9-11,19H2,1H3,(H,20,24)(H,25,26)/p-1