2-butan-2-yl-5-[(4-nitrophenyl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-3-one

Systemtic Name: 2-butan-2-yl-5-[(4-nitrophenyl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-3-one Openeye Name: 5-[(4-nitrophenyl)methylsulfanyl]-2-sec-butyl-2H-imidazo[1,2-c]quinazolin-3-one CAS Name: 2-butan-2-yl-5-[(4-nitrophenyl)methylthio]-2H-imidazo[1,2-c]quinazolin-3-one IUPAC Name: 2-butan-2-yl-5-[(4-nitrophenyl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-3-one Traditional Name: 5-[(4-nitrobenzyl)thio]-2-sec-butyl-2H-imidazo[1,2-c]quinazolin-3-one Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)N2C(=N1)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1C(=O)N2C(=N1)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O3S/c1-3-13(2)18-20(26)24-19(23-18)16-6-4-5-7-17(16)22-21(24)29-12-14-8-10-15(11-9-14)25(27)28/h4-11,13,18H,3,12H2,1-2H3