[4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl ester Formula: C19H13FN6O4S MolecularWeight: 440.407723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])F

InChI

InChI=1S/C19H13FN6O4S/c20-11-1-3-12(4-2-11)22-19-24-16(23-18(21)25-19)9-30-17(27)15-8-10-7-13(26(28)29)5-6-14(10)31-15/h1-8H,9H2,(H3,21,22,23,24,25)