5-(2-fluorophenyl)-7-isothiocyanato-1-methyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 5-(2-fluorophenyl)-7-isothiocyanato-1-methyl-3H-1,4-benzodiazepin-2-one Openeye Name: 5-(2-fluorophenyl)-7-isothiocyanato-1-methyl-3H-1,4-benzodiazepin-2-one CAS Name: 5-(2-fluorophenyl)-7-isothiocyanato-1-methyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 5-(2-fluorophenyl)-7-isothiocyanato-1-methyl-3H-1,4-benzodiazepin-2-one Traditional Name: 5-(2-fluorophenyl)-7-isothiocyanato-1-methyl-3H-1,4-benzodiazepin-2-one Formula: C17H12FN3OS MolecularWeight: 325.360083

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=C1C=CC(=C2)N=C=S)C3=CC=CC=C3F

Isomeric SMILES

CN1C(=O)CN=C(C2=C1C=CC(=C2)N=C=S)C3=CC=CC=C3F

InChI

InChI=1S/C17H12FN3OS/c1-21-15-7-6-11(20-10-23)8-13(15)17(19-9-16(21)22)12-4-2-3-5-14(12)18/h2-8H,9H2,1H3