9-chloranyl-1-(4-nitrophenyl)-4,5-dihydro-[1]benzothiepino[4,5-d][1,2,3]triazole

Systemtic Name: 9-chloranyl-1-(4-nitrophenyl)-4,5-dihydro-[1]benzothiepino[4,5-d][1,2,3]triazole Openeye Name: 9-chloro-1-(4-nitrophenyl)-4,5-dihydro-[1]benzothiepino[4,5-d]triazole CAS Name: 9-chloro-1-(4-nitrophenyl)-4,5-dihydro-[1]benzothiepino[4,5-d]triazole IUPAC Name: 9-chloro-1-(4-nitrophenyl)-4,5-dihydro-[1]benzothiepino[4,5-d]triazole Traditional Name: 9-chloro-1-(4-nitrophenyl)-4,5-dihydro-[1]benzothiepino[4,5-d]triazole Formula: C16H11ClN4O2S MolecularWeight: 358.80214

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)Cl)C3=C1N=NN3C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CSC2=C(C=C(C=C2)Cl)C3=C1N=NN3C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H11ClN4O2S/c17-10-1-6-15-13(9-10)16-14(7-8-24-15)18-19-20(16)11-2-4-12(5-3-11)21(22)23/h1-6,9H,7-8H2