1-(3-ethylsulfinylpropyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 1-(3-ethylsulfinylpropyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 1-(3-ethylsulfinylpropyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 1-(3-ethylsulfinylpropyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-(3-ethylsulfinylpropyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-(3-ethylsulfinylpropyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCS(=O)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O4S/c1-2-28(27)12-6-11-22-18-10-9-16(23(25)26)13-17(18)20(21-14-19(22)24)15-7-4-3-5-8-15/h3-5,7-10,13H,2,6,11-12,14H2,1H3