7-chloranyl-5-(2-thiophen-2-ylethynyl)-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-5-(2-thiophen-2-ylethynyl)-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-5-[2-(2-thienyl)ethynyl]-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-5-(2-thiophen-2-ylethynyl)-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-5-(2-thiophen-2-ylethynyl)-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-5-[2-(2-thienyl)ethynyl]-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one Formula: C16H8ClF3N2OS MolecularWeight: 368.76073

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)C=N2)C(F)(F)F

Isomeric SMILES

C1=CSC(=C1)C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)C=N2)C(F)(F)F

InChI

InChI=1S/C16H8ClF3N2OS/c17-10-3-4-13-12(8-10)15(16(18,19)20,21-9-14(23)22-13)6-5-11-2-1-7-24-11/h1-4,7-9H,(H,22,23)