4-(1H-benzimidazol-2-ylmethylsulfanyl)-2-(trifluoromethyl)quinazoline

Systemtic Name: 4-(1H-benzimidazol-2-ylmethylsulfanyl)-2-(trifluoromethyl)quinazoline Openeye Name: 4-(1H-benzimidazol-2-ylmethylsulfanyl)-2-(trifluoromethyl)quinazoline CAS Name: 4-(1H-benzimidazol-2-ylmethylthio)-2-(trifluoromethyl)quinazoline IUPAC Name: 4-(1H-benzimidazol-2-ylmethylsulfanyl)-2-(trifluoromethyl)quinazoline Traditional Name: 4-(1H-benzimidazol-2-ylmethylthio)-2-(trifluoromethyl)quinazoline Formula: C17H11F3N4S MolecularWeight: 360.35625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C17H11F3N4S/c18-17(19,20)16-23-11-6-2-1-5-10(11)15(24-16)25-9-14-21-12-7-3-4-8-13(12)22-14/h1-8H,9H2,(H,21,22)