1-butyl-2-(4-nitrophenyl)sulfanyl-imidazole hydrochloride

Systemtic Name: 1-butyl-2-(4-nitrophenyl)sulfanyl-imidazole hydrochloride Openeye Name: 1-butyl-2-(4-nitrophenyl)sulfanyl-imidazole hydrochloride CAS Name: 1-butyl-2-[(4-nitrophenyl)thio]imidazole hydrochloride IUPAC Name: 1-butyl-2-(4-nitrophenyl)sulfanylimidazole hydrochloride Traditional Name: 1-butyl-2-[(4-nitrophenyl)thio]imidazole hydrochloride Formula: C13H16ClN3O2S MolecularWeight: 313.80304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CN=C1SC2=CC=C(C=C2)[N+](=O)[O-].Cl

Isomeric SMILES

CCCCN1C=CN=C1SC2=CC=C(C=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H15N3O2S.ClH/c1-2-3-9-15-10-8-14-13(15)19-12-6-4-11(5-7-12)16(17)18;/h4-8,10H,2-3,9H2,1H3;1H