3-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(2-chloro-6-nitro-phenyl)methylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(2-chloro-6-nitrophenyl)methylthio]-4-phenyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-chloro-6-nitro-benzyl)thio]-4-phenyl-1H-1,2,4-triazol-5-one Formula: C15H11ClN4O3S MolecularWeight: 362.79084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)NN=C2SCC3=C(C=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)NN=C2SCC3=C(C=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H11ClN4O3S/c16-12-7-4-8-13(20(22)23)11(12)9-24-15-18-17-14(21)19(15)10-5-2-1-3-6-10/h1-8H,9H2,(H,17,21)