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

Systemtic Name: 5-(2-chlorophenyl)-1-(2-methylsulfinylethyl)-7-nitro-3H-1,4-benzodiazepin-2-one Openeye Name: 5-(2-chlorophenyl)-1-(2-methylsulfinylethyl)-7-nitro-3H-1,4-benzodiazepin-2-one CAS Name: 5-(2-chlorophenyl)-1-(2-methylsulfinylethyl)-7-nitro-3H-1,4-benzodiazepin-2-one IUPAC Name: 5-(2-chlorophenyl)-1-(2-methylsulfinylethyl)-7-nitro-3H-1,4-benzodiazepin-2-one Traditional Name: 5-(2-chlorophenyl)-1-(2-methylsulfinylethyl)-7-nitro-3H-1,4-benzodiazepin-2-one Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CCN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3Cl

Isomeric SMILES

CS(=O)CCN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3Cl

InChI

InChI=1S/C18H16ClN3O4S/c1-27(26)9-8-21-16-7-6-12(22(24)25)10-14(16)18(20-11-17(21)23)13-4-2-3-5-15(13)19/h2-7,10H,8-9,11H2,1H3