2-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-quinazolin-4-one

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-quinazolin-4-one Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-quinazolin-4-one CAS Name: 2-[(3-nitrophenyl)methylthio]-3-phenethyl-4-quinazolinone IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-phenethylquinazolin-4-one Traditional Name: 2-[(3-nitrobenzyl)thio]-3-phenethyl-quinazolin-4-one Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O3S/c27-22-20-11-4-5-12-21(20)24-23(25(22)14-13-17-7-2-1-3-8-17)30-16-18-9-6-10-19(15-18)26(28)29/h1-12,15H,13-14,16H2