[4-(tert-butylamino)-6-chloranyl-1,3,5-triazin-2-yl]-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl]cyanamide

Systemtic Name: [4-(tert-butylamino)-6-chloranyl-1,3,5-triazin-2-yl]-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl]cyanamide Openeye Name: [4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide CAS Name: [4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide IUPAC Name: [4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide Traditional Name: [4-(tert-butylamino)-6-chloro-s-triazin-2-yl]-[(1,1,3-triketo-1,2-benzothiazol-2-yl)methyl]cyanamide Formula: C16H16ClN7O3S MolecularWeight: 421.86134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC(=NC(=N1)Cl)N(CN2C(=O)C3=CC=CC=C3S2(=O)=O)C#N

Isomeric SMILES

CC(C)(C)NC1=NC(=NC(=N1)Cl)N(CN2C(=O)C3=CC=CC=C3S2(=O)=O)C#N

InChI

InChI=1S/C16H16ClN7O3S/c1-16(2,3)22-14-19-13(17)20-15(21-14)23(8-18)9-24-12(25)10-6-4-5-7-11(10)28(24,26)27/h4-7H,9H2,1-3H3,(H,19,20,21,22)