2-quinazolin-4-ylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-quinazolin-4-ylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-quinazolin-4-ylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide CAS Name: 2-(4-quinazolinylthio)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-quinazolin-4-ylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-(quinazolin-4-ylthio)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide Formula: C19H13F3N6OS MolecularWeight: 430.40633

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4C=NC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4C=NC=N4

InChI

InChI=1S/C19H13F3N6OS/c20-19(21,22)12-5-6-16(28-11-23-9-26-28)15(7-12)27-17(29)8-30-18-13-3-1-2-4-14(13)24-10-25-18/h1-7,9-11H,8H2,(H,27,29)