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

Systemtic Name: 7-chloranyl-5-(4-chlorophenyl)-1-(2-isothiocyanatoethyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-5-(4-chlorophenyl)-1-(2-isothiocyanatoethyl)-3H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-5-(4-chlorophenyl)-1-(2-isothiocyanatoethyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-5-(4-chlorophenyl)-1-(2-isothiocyanatoethyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-5-(4-chlorophenyl)-1-(2-isothiocyanatoethyl)-3H-1,4-benzodiazepin-2-one Formula: C18H13Cl2N3OS MolecularWeight: 390.28632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13Cl2N3OS/c19-13-3-1-12(2-4-13)18-15-9-14(20)5-6-16(15)23(8-7-21-11-25)17(24)10-22-18/h1-6,9H,7-8,10H2