2-(4-nitrophenyl)sulfanyl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-(4-nitrophenyl)sulfanyl-quinazolin-4-one CAS Name: 2-[(4-nitrophenyl)thio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-(4-nitrophenyl)sulfanylquinazolin-4-one Traditional Name: 3-benzyl-2-[(4-nitrophenyl)thio]quinazolin-4-one Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O3S/c25-20-18-8-4-5-9-19(18)22-21(23(20)14-15-6-2-1-3-7-15)28-17-12-10-16(11-13-17)24(26)27/h1-13H,14H2