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

Systemtic Name: 3-[4-azanyl-3-[2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-1,2,4-triazin-6-yl]propanoate Openeye Name: 3-[4-amino-3-[2-(3-ethylanilino)-2-oxo-ethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[4-amino-3-[[2-(3-ethylanilino)-2-oxoethyl]thio]-5-oxo-1,2,4-triazin-6-yl]propanoate IUPAC Name: 3-[4-amino-3-[2-(3-ethylanilino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[4-amino-3-[[2-(3-ethylanilino)-2-keto-ethyl]thio]-5-keto-1,2,4-triazin-6-yl]propionate Formula: C16H18N5O4S- MolecularWeight: 376.41022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)CSC2=NN=C(C(=O)N2N)CCC(=O)[O-]

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)CSC2=NN=C(C(=O)N2N)CCC(=O)[O-]

InChI

InChI=1S/C16H19N5O4S/c1-2-10-4-3-5-11(8-10)18-13(22)9-26-16-20-19-12(6-7-14(23)24)15(25)21(16)17/h3-5,8H,2,6-7,9,17H2,1H3,(H,18,22)(H,23,24)/p-1