5-phenyl-2-sulfanylidene-7-(trifluoromethyl)-1H-1,5-benzodiazepin-4-one

Systemtic Name: 5-phenyl-2-sulfanylidene-7-(trifluoromethyl)-1H-1,5-benzodiazepin-4-one Openeye Name: 5-phenyl-2-thioxo-7-(trifluoromethyl)-1H-1,5-benzodiazepin-4-one CAS Name: 5-phenyl-2-sulfanylidene-7-(trifluoromethyl)-1H-1,5-benzodiazepin-4-one IUPAC Name: 5-phenyl-2-sulfanylidene-7-(trifluoromethyl)-1H-1,5-benzodiazepin-4-one Traditional Name: 5-phenyl-2-thioxo-7-(trifluoromethyl)-1H-1,5-benzodiazepin-4-one Formula: C16H11F3N2OS MolecularWeight: 336.33155

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=S)NC2=C(C=C(C=C2)C(F)(F)F)N(C1=O)C3=CC=CC=C3

Isomeric SMILES

C1C(=S)NC2=C(C=C(C=C2)C(F)(F)F)N(C1=O)C3=CC=CC=C3

InChI

InChI=1S/C16H11F3N2OS/c17-16(18,19)10-6-7-12-13(8-10)21(11-4-2-1-3-5-11)15(22)9-14(23)20-12/h1-8H,9H2,(H,20,23)