5-(2-chlorophenyl)-1-(methylsulfinylmethyl)-7-nitro-3H-1,4-benzodiazepin-2-one

Systemtic Name: 5-(2-chlorophenyl)-1-(methylsulfinylmethyl)-7-nitro-3H-1,4-benzodiazepin-2-one Openeye Name: 5-(2-chlorophenyl)-1-(methylsulfinylmethyl)-7-nitro-3H-1,4-benzodiazepin-2-one CAS Name: 5-(2-chlorophenyl)-1-(methylsulfinylmethyl)-7-nitro-3H-1,4-benzodiazepin-2-one IUPAC Name: 5-(2-chlorophenyl)-1-(methylsulfinylmethyl)-7-nitro-3H-1,4-benzodiazepin-2-one Traditional Name: 5-(2-chlorophenyl)-1-(methylsulfinylmethyl)-7-nitro-3H-1,4-benzodiazepin-2-one Formula: C17H14ClN3O4S MolecularWeight: 391.82876

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3Cl

Isomeric SMILES

CS(=O)CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3Cl

InChI

InChI=1S/C17H14ClN3O4S/c1-26(25)10-20-15-7-6-11(21(23)24)8-13(15)17(19-9-16(20)22)12-4-2-3-5-14(12)18/h2-8H,9-10H2,1H3