1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)pyrrolidine

Systemtic Name: 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)pyrrolidine Openeye Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)pyrrolidine CAS Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)pyrrolidine IUPAC Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)pyrrolidine Traditional Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)pyrrolidine Formula: C18H18ClNS MolecularWeight: 315.86022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

Isomeric SMILES

C1CCN(C1)C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

InChI

InChI=1S/C18H18ClNS/c19-14-7-8-17-13(11-14)12-16(20-9-3-4-10-20)15-5-1-2-6-18(15)21-17/h1-2,5-8,11,16H,3-4,9-10,12H2