(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C18H16ClN5O2S MolecularWeight: 401.86994

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C18H16ClN5O2S/c1-27-12-7-8-14(19)13(9-12)16(25)26-10-15-22-17(20)24-18(23-15)21-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H3,20,21,22,23,24)