2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]ethyl 2,4-bis(chloranyl)benzoate

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]ethyl 2,4-bis(chloranyl)benzoate Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]ethyl 2,4-dichlorobenzoate CAS Name: 2,4-dichlorobenzoic acid 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]ethyl ester IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]ethyl 2,4-dichlorobenzoate Traditional Name: 2,4-dichlorobenzoic acid 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]ethyl ester Formula: C19H17Cl2N5O2S MolecularWeight: 450.34158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSCCOC(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSCCOC(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H17Cl2N5O2S/c20-12-6-7-14(15(21)10-12)17(27)28-8-9-29-11-16-24-18(22)26-19(25-16)23-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H3,22,23,24,25,26)