4-(1H-benzimidazol-2-ylsulfanyl)-6,7-dimethoxy-2-(trifluoromethyl)quinazoline

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-6,7-dimethoxy-2-(trifluoromethyl)quinazoline Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-6,7-dimethoxy-2-(trifluoromethyl)quinazoline CAS Name: 4-(1H-benzimidazol-2-ylthio)-6,7-dimethoxy-2-(trifluoromethyl)quinazoline IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-6,7-dimethoxy-2-(trifluoromethyl)quinazoline Traditional Name: 4-(1H-benzimidazol-2-ylthio)-6,7-dimethoxy-2-(trifluoromethyl)quinazoline Formula: C18H13F3N4O2S MolecularWeight: 406.38163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)SC3=NC4=CC=CC=C4N3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)SC3=NC4=CC=CC=C4N3)OC

InChI

InChI=1S/C18H13F3N4O2S/c1-26-13-7-9-12(8-14(13)27-2)22-16(18(19,20)21)25-15(9)28-17-23-10-5-3-4-6-11(10)24-17/h3-8H,1-2H3,(H,23,24)