7-chloranyl-5-(2-fluorophenyl)-1-(2-isothiocyanatoethyl)-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-5-(2-fluorophenyl)-1-(2-isothiocyanatoethyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-5-(2-fluorophenyl)-1-(2-isothiocyanatoethyl)-3H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-5-(2-fluorophenyl)-1-(2-isothiocyanatoethyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-5-(2-fluorophenyl)-1-(2-isothiocyanatoethyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-5-(2-fluorophenyl)-1-(2-isothiocyanatoethyl)-3H-1,4-benzodiazepin-2-one Formula: C18H13ClFN3OS MolecularWeight: 373.831723

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CCN=C=S

Isomeric SMILES

C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CCN=C=S

InChI

InChI=1S/C18H13ClFN3OS/c19-12-5-6-16-14(9-12)18(13-3-1-2-4-15(13)20)22-10-17(24)23(16)8-7-21-11-25/h1-6,9H,7-8,10H2