9-chloranyl-11-[3-(oxidanidylamino)propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile

Systemtic Name: 9-chloranyl-11-[3-(oxidanidylamino)propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile Openeye Name: 9-chloro-11-[3-(oxidoamino)propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile CAS Name: 9-chloro-11-[3-(oxidoamino)propyl]-6H-benzo[c][1]benzothiepin-11-carbonitrile IUPAC Name: 9-chloro-11-[3-(oxidoamino)propyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile Traditional Name: 9-chloro-11-[3-(oxidoamino)propyl]-6H-benzo[c][1]benzothiepin-11-carbonitrile Formula: C18H16ClN2OS- MolecularWeight: 343.85044

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)Cl)C(C3=CC=CC=C3S1)(CCCN[O-])C#N

Isomeric SMILES

C1C2=C(C=C(C=C2)Cl)C(C3=CC=CC=C3S1)(CCCN[O-])C#N

InChI

InChI=1S/C18H16ClN2OS/c19-14-7-6-13-11-23-17-5-2-1-4-15(17)18(12-20,16(13)10-14)8-3-9-21-22/h1-2,4-7,10,21H,3,8-9,11H2/q-1