4-nitro-1-(phenylmethyl)-5-phenylsulfanyl-imidazole

Systemtic Name: 4-nitro-1-(phenylmethyl)-5-phenylsulfanyl-imidazole Openeye Name: 1-benzyl-4-nitro-5-phenylsulfanyl-imidazole CAS Name: 4-nitro-1-(phenylmethyl)-5-(phenylthio)imidazole IUPAC Name: 1-benzyl-4-nitro-5-phenylsulfanylimidazole Traditional Name: 1-benzyl-4-nitro-5-(phenylthio)imidazole Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC(=C2SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC(=C2SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O2S/c20-19(21)15-16(22-14-9-5-2-6-10-14)18(12-17-15)11-13-7-3-1-4-8-13/h1-10,12H,11H2