2-[2-chloranyl-3-(4-nitrophenyl)sulfanyl-propyl]sulfanyl-1H-quinazolin-4-one

Systemtic Name: 2-[2-chloranyl-3-(4-nitrophenyl)sulfanyl-propyl]sulfanyl-1H-quinazolin-4-one Openeye Name: 2-[2-chloro-3-(4-nitrophenyl)sulfanyl-propyl]sulfanyl-1H-quinazolin-4-one CAS Name: 2-[[2-chloro-3-[(4-nitrophenyl)thio]propyl]thio]-1H-quinazolin-4-one IUPAC Name: 2-[2-chloro-3-(4-nitrophenyl)sulfanylpropyl]sulfanyl-1H-quinazolin-4-one Traditional Name: 2-[[2-chloro-3-[(4-nitrophenyl)thio]propyl]thio]-1H-quinazolin-4-one Formula: C17H14ClN3O3S2 MolecularWeight: 407.89436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)SCC(CSC3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)SCC(CSC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H14ClN3O3S2/c18-11(9-25-13-7-5-12(6-8-13)21(23)24)10-26-17-19-15-4-2-1-3-14(15)16(22)20-17/h1-8,11H,9-10H2,(H,19,20,22)