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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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