2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-(4-nitrophenyl)-1H-imidazole

Systemtic Name: 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-(4-nitrophenyl)-1H-imidazole Openeye Name: 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-(4-nitrophenyl)-1H-imidazole CAS Name: 2-[2-(1H-imidazol-5-yl)ethylthio]-5-(4-nitrophenyl)-1H-imidazole IUPAC Name: 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-(4-nitrophenyl)-1H-imidazole Traditional Name: 2-[2-(1H-imidazol-5-yl)ethylthio]-5-(4-nitrophenyl)-1H-imidazole Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN=C(N2)SCCC3=CN=CN3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CN=C(N2)SCCC3=CN=CN3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O2S/c20-19(21)12-3-1-10(2-4-12)13-8-16-14(18-13)22-6-5-11-7-15-9-17-11/h1-4,7-9H,5-6H2,(H,15,17)(H,16,18)