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

Systemtic Name: 5-(2-chlorophenyl)-7-nitro-1-(propylsulfinylmethyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 5-(2-chlorophenyl)-7-nitro-1-(propylsulfinylmethyl)-3H-1,4-benzodiazepin-2-one CAS Name: 5-(2-chlorophenyl)-7-nitro-1-(propylsulfinylmethyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 5-(2-chlorophenyl)-7-nitro-1-(propylsulfinylmethyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 5-(2-chlorophenyl)-7-nitro-1-(propylsulfinylmethyl)-3H-1,4-benzodiazepin-2-one Formula: C19H18ClN3O4S MolecularWeight: 419.88192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O4S/c1-2-9-28(27)12-22-17-8-7-13(23(25)26)10-15(17)19(21-11-18(22)24)14-5-3-4-6-16(14)20/h3-8,10H,2,9,11-12H2,1H3