2-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one CAS Name: 2-[(4-nitrophenyl)methylthio]-5,6,7,8-tetrahydro-1H-quinazolin-4-one IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one Traditional Name: 2-[(4-nitrobenzyl)thio]-5,6,7,8-tetrahydro-1H-quinazolin-4-one Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)N=C(N2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=O)N=C(N2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O3S/c19-14-12-3-1-2-4-13(12)16-15(17-14)22-9-10-5-7-11(8-6-10)18(20)21/h5-8H,1-4,9H2,(H,16,17,19)