3-(3-chloranylbenzo[b][1]benzothiepin-5-yl)prop-2-yn-1-amine

Systemtic Name: 3-(3-chloranylbenzo[b][1]benzothiepin-5-yl)prop-2-yn-1-amine Openeye Name: 3-(3-chlorobenzo[b][1]benzothiepin-5-yl)prop-2-yn-1-amine CAS Name: 3-(3-chloro-5-benzo[b][1]benzothiepinyl)-2-propyn-1-amine IUPAC Name: 3-(3-chlorobenzo[b][1]benzothiepin-5-yl)prop-2-yn-1-amine Traditional Name: 3-(3-chlorobenzo[b][1]benzothiepin-5-yl)prop-2-ynylamine Formula: C17H12ClNS MolecularWeight: 297.80188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C3=C(S2)C=CC(=C3)Cl)C#CCN

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C3=C(S2)C=CC(=C3)Cl)C#CCN

InChI

InChI=1S/C17H12ClNS/c18-14-7-8-17-15(11-14)12(5-3-9-19)10-13-4-1-2-6-16(13)20-17/h1-2,4,6-8,10-11H,9,19H2