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

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]ethyl 3-chloranylbenzoate Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]ethyl 3-chlorobenzoate CAS Name: 3-chlorobenzoic 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 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]ethyl ester Formula: C19H18ClN5O2S MolecularWeight: 415.89652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN5O2S/c20-14-6-4-5-13(11-14)17(26)27-9-10-28-12-16-23-18(21)25-19(24-16)22-15-7-2-1-3-8-15/h1-8,11H,9-10,12H2,(H3,21,22,23,24,25)