5-[4-(trifluoromethyl)phenyl]sulfanylquinazoline-2,4-diamine

Systemtic Name: 5-[4-(trifluoromethyl)phenyl]sulfanylquinazoline-2,4-diamine Openeye Name: 5-[4-(trifluoromethyl)phenyl]sulfanylquinazoline-2,4-diamine CAS Name: 5-[[4-(trifluoromethyl)phenyl]thio]quinazoline-2,4-diamine IUPAC Name: 5-[4-(trifluoromethyl)phenyl]sulfanylquinazoline-2,4-diamine Traditional Name: [2-amino-5-[[4-(trifluoromethyl)phenyl]thio]quinazolin-4-yl]amine Formula: C15H11F3N4S MolecularWeight: 336.33485

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC3=CC=C(C=C3)C(F)(F)F)C(=NC(=N2)N)N

Isomeric SMILES

C1=CC2=C(C(=C1)SC3=CC=C(C=C3)C(F)(F)F)C(=NC(=N2)N)N

InChI

InChI=1S/C15H11F3N4S/c16-15(17,18)8-4-6-9(7-5-8)23-11-3-1-2-10-12(11)13(19)22-14(20)21-10/h1-7H,(H4,19,20,21,22)