2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-6-nitro-1,3-benzothiazole hydrochloride

Systemtic Name: 2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-6-nitro-1,3-benzothiazole hydrochloride Openeye Name: 2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-6-nitro-1,3-benzothiazole hydrochloride CAS Name: 2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-6-nitro-1,3-benzothiazole hydrochloride IUPAC Name: 2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-6-nitro-1,3-benzothiazole hydrochloride Traditional Name: 2-[4-(2-imidazolin-2-yl)phenyl]-6-nitro-1,3-benzothiazole hydrochloride Formula: C16H13ClN4O2S MolecularWeight: 360.81802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)C2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-].Cl

Isomeric SMILES

C1CN=C(N1)C2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-].Cl

InChI

InChI=1S/C16H12N4O2S.ClH/c21-20(22)12-5-6-13-14(9-12)23-16(19-13)11-3-1-10(2-4-11)15-17-7-8-18-15;/h1-6,9H,7-8H2,(H,17,18);1H