2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-nitro-1,3-benzothiazole

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-nitro-1,3-benzothiazole Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-nitro-1,3-benzothiazole CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-nitro-1,3-benzothiazole IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-nitro-1,3-benzothiazole Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-nitro-1,3-benzothiazole Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

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