4-[(3-nitrophenyl)methylsulfanyl]-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one

Systemtic Name: 4-[(3-nitrophenyl)methylsulfanyl]-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Openeye Name: 4-[(3-nitrophenyl)methylsulfanyl]-1-(3-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one CAS Name: 4-[(3-nitrophenyl)methylthio]-1-(3-pyridinylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one IUPAC Name: 4-[(3-nitrophenyl)methylsulfanyl]-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Traditional Name: 4-[(3-nitrobenzyl)thio]-1-(3-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=O)N2CC3=CN=CC=C3)SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=O)N2CC3=CN=CC=C3)SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O3S/c26-21-23-20(29-14-15-5-3-7-17(11-15)25(27)28)18-8-1-2-9-19(18)24(21)13-16-6-4-10-22-12-16/h3-7,10-12H,1-2,8-9,13-14H2