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

Systemtic Name: 4-[(4-nitrophenyl)methylsulfanyl]-1-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Openeye Name: 4-[(4-nitrophenyl)methylsulfanyl]-1-(2-thienylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one CAS Name: 4-[(4-nitrophenyl)methylthio]-1-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one IUPAC Name: 4-[(4-nitrophenyl)methylsulfanyl]-1-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Traditional Name: 4-[(4-nitrobenzyl)thio]-1-(2-thenyl)-5,6,7,8-tetrahydroquinazolin-2-one Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=O)N2CC3=CC=CS3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=O)N2CC3=CC=CS3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O3S2/c24-20-21-19(28-13-14-7-9-15(10-8-14)23(25)26)17-5-1-2-6-18(17)22(20)12-16-4-3-11-27-16/h3-4,7-11H,1-2,5-6,12-13H2