5-(2-tert-butyl-6-chloranyl-quinazolin-4-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole

Systemtic Name: 5-(2-tert-butyl-6-chloranyl-quinazolin-4-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole Openeye Name: 5-(2-tert-butyl-6-chloro-quinazolin-4-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole CAS Name: 5-[(2-tert-butyl-6-chloro-4-quinazolinyl)thio]-4-nitro-2,1,3-benzothiadiazole IUPAC Name: 5-(2-tert-butyl-6-chloroquinazolin-4-yl)sulfanyl-4-nitro-2,1,3-benzothiadiazole Traditional Name: 5-[(2-tert-butyl-6-chloro-quinazolin-4-yl)thio]-4-nitro-piazthiole Formula: C18H14ClN5O2S2 MolecularWeight: 431.91906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C=C(C=C2)Cl)C(=N1)SC3=C(C4=NSN=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NC2=C(C=C(C=C2)Cl)C(=N1)SC3=C(C4=NSN=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN5O2S2/c1-18(2,3)17-20-11-5-4-9(19)8-10(11)16(21-17)27-13-7-6-12-14(23-28-22-12)15(13)24(25)26/h4-8H,1-3H3