2-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]-2,3-dihydro-1H-quinazolin-4-one

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]-2,3-dihydro-1H-quinazolin-4-one Openeye Name: 2-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]-2,3-dihydro-1H-quinazolin-4-one CAS Name: 2-[4-(1,3-benzothiazol-2-ylthio)-3-nitrophenyl]-2,3-dihydro-1H-quinazolin-4-one IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]-2,3-dihydro-1H-quinazolin-4-one Traditional Name: 2-[4-(1,3-benzothiazol-2-ylthio)-3-nitro-phenyl]-2,3-dihydro-1H-quinazolin-4-one Formula: C21H14N4O3S2 MolecularWeight: 434.49086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NC(N2)C3=CC(=C(C=C3)SC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NC(N2)C3=CC(=C(C=C3)SC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O3S2/c26-20-13-5-1-2-6-14(13)22-19(24-20)12-9-10-18(16(11-12)25(27)28)30-21-23-15-7-3-4-8-17(15)29-21/h1-11,19,22H,(H,24,26)