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

Systemtic Name: 1-(furan-2-ylmethyl)-4-[(3-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazolin-2-one Openeye Name: 1-(2-furylmethyl)-4-[(3-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazolin-2-one CAS Name: 1-(2-furanylmethyl)-4-[(3-nitrophenyl)methylthio]-5,6,7,8-tetrahydroquinazolin-2-one IUPAC Name: 1-(furan-2-ylmethyl)-4-[(3-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazolin-2-one Traditional Name: 1-(2-furfuryl)-4-[(3-nitrobenzyl)thio]-5,6,7,8-tetrahydroquinazolin-2-one Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=O)N2CC3=CC=CO3)SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=O)N2CC3=CC=CO3)SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4S/c24-20-21-19(28-13-14-5-3-6-15(11-14)23(25)26)17-8-1-2-9-18(17)22(20)12-16-7-4-10-27-16/h3-7,10-11H,1-2,8-9,12-13H2