[4-azanyl-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]methyl 2-ethylsulfanylbenzoate

Systemtic Name: [4-azanyl-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]methyl 2-ethylsulfanylbenzoate Openeye Name: [4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic acid [4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [4-amino-6-(4-chloroanilino)-s-triazin-2-yl]methyl ester Formula: C19H18ClN5O2S MolecularWeight: 415.89652

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)N

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C19H18ClN5O2S/c1-2-28-15-6-4-3-5-14(15)17(26)27-11-16-23-18(21)25-19(24-16)22-13-9-7-12(20)8-10-13/h3-10H,2,11H2,1H3,(H3,21,22,23,24,25)