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

Systemtic Name: 3-(2,4-dimethylphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-quinazolin-4-one Openeye Name: 3-(2,4-dimethylphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-quinazolin-4-one CAS Name: 3-(2,4-dimethylphenyl)-2-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]-4-quinazolinone IUPAC Name: 3-(2,4-dimethylphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanylquinazolin-4-one Traditional Name: 3-(2,4-dimethylphenyl)-2-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]quinazolin-4-one Formula: C26H24N4O5S2 MolecularWeight: 536.62256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC4=C(C=C(C=C4)S(=O)(=O)N5CCCC5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC4=C(C=C(C=C4)S(=O)(=O)N5CCCC5)[N+](=O)[O-])C

InChI

InChI=1S/C26H24N4O5S2/c1-17-9-11-22(18(2)15-17)29-25(31)20-7-3-4-8-21(20)27-26(29)36-24-12-10-19(16-23(24)30(32)33)37(34,35)28-13-5-6-14-28/h3-4,7-12,15-16H,5-6,13-14H2,1-2H3