1-[3-(3-chloranylbenzo[b][1]benzothiepin-5-yl)prop-2-ynyl]pyrrolidine

Systemtic Name: 1-[3-(3-chloranylbenzo[b][1]benzothiepin-5-yl)prop-2-ynyl]pyrrolidine Openeye Name: 1-[3-(3-chlorobenzo[b][1]benzothiepin-5-yl)prop-2-ynyl]pyrrolidine CAS Name: 1-[3-(3-chloro-5-benzo[b][1]benzothiepinyl)prop-2-ynyl]pyrrolidine IUPAC Name: 1-[3-(3-chlorobenzo[b][1]benzothiepin-5-yl)prop-2-ynyl]pyrrolidine Traditional Name: 1-[3-(3-chlorobenzo[b][1]benzothiepin-5-yl)prop-2-ynyl]pyrrolidine Formula: C21H18ClNS MolecularWeight: 351.89232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC#CC2=CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)CC#CC2=CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C21H18ClNS/c22-18-9-10-21-19(15-18)16(7-5-13-23-11-3-4-12-23)14-17-6-1-2-8-20(17)24-21/h1-2,6,8-10,14-15H,3-4,11-13H2