2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-3-propyl-quinazolin-4-one

Systemtic Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-3-propyl-quinazolin-4-one CAS Name: 2-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]-3-propyl-4-quinazolinone IUPAC Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-3-propylquinazolin-4-one Traditional Name: 2-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]-3-propyl-quinazolin-4-one Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S2/c1-2-11-24-20(26)16-7-3-4-8-17(16)22-21(24)31-19-10-9-15(14-18(19)25(27)28)32(29,30)23-12-5-6-13-23/h3-4,7-10,14H,2,5-6,11-13H2,1H3