2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-1H-quinazolin-4-one Openeye Name: 2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-1H-quinazolin-4-one CAS Name: 2-[(6-nitro-1H-benzimidazol-2-yl)methylthio]-1H-quinazolin-4-one IUPAC Name: 2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-1H-quinazolin-4-one Traditional Name: 2-[(6-nitro-1H-benzimidazol-2-yl)methylthio]-1H-quinazolin-4-one Formula: C16H11N5O3S MolecularWeight: 353.35524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)SCC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)SCC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O3S/c22-15-10-3-1-2-4-11(10)19-16(20-15)25-8-14-17-12-6-5-9(21(23)24)7-13(12)18-14/h1-7H,8H2,(H,17,18)(H,19,20,22)