2-(3-nitro-4-pyrrolidin-1-yl-phenyl)-1,3-benzothiazole

Systemtic Name: 2-(3-nitro-4-pyrrolidin-1-yl-phenyl)-1,3-benzothiazole Openeye Name: 2-(3-nitro-4-pyrrolidin-1-yl-phenyl)-1,3-benzothiazole CAS Name: 2-[3-nitro-4-(1-pyrrolidinyl)phenyl]-1,3-benzothiazole IUPAC Name: 2-(3-nitro-4-pyrrolidin-1-ylphenyl)-1,3-benzothiazole Traditional Name: 2-(3-nitro-4-pyrrolidino-phenyl)-1,3-benzothiazole Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O2S/c21-20(22)15-11-12(7-8-14(15)19-9-3-4-10-19)17-18-13-5-1-2-6-16(13)23-17/h1-2,5-8,11H,3-4,9-10H2