5-(4-nitrophenyl)-2-(phenylmethylsulfanyl)-1H-imidazole

Systemtic Name: 5-(4-nitrophenyl)-2-(phenylmethylsulfanyl)-1H-imidazole Openeye Name: 2-benzylsulfanyl-5-(4-nitrophenyl)-1H-imidazole CAS Name: 5-(4-nitrophenyl)-2-(phenylmethylthio)-1H-imidazole IUPAC Name: 2-benzylsulfanyl-5-(4-nitrophenyl)-1H-imidazole Traditional Name: 2-(benzylthio)-5-(4-nitrophenyl)-1H-imidazole Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=C(N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C(N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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