(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic 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-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C19H16N6O2S2 MolecularWeight: 424.49934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H16N6O2S2/c20-17-23-15(24-18(25-17)21-12-6-2-1-3-7-12)10-27-16(26)11-28-19-22-13-8-4-5-9-14(13)29-19/h1-9H,10-11H2,(H3,20,21,23,24,25)