3-chloranyl-N-methyl-N-prop-2-ynyl-5,6-dihydrobenzo[b][1]benzothiepin-5-amine

Systemtic Name: 3-chloranyl-N-methyl-N-prop-2-ynyl-5,6-dihydrobenzo[b][1]benzothiepin-5-amine Openeye Name: 3-chloro-N-methyl-N-prop-2-ynyl-5,6-dihydrobenzo[b][1]benzothiepin-5-amine CAS Name: 3-chloro-N-methyl-N-prop-2-ynyl-5,6-dihydrobenzo[b][1]benzothiepin-5-amine IUPAC Name: 3-chloro-N-methyl-N-prop-2-ynyl-5,6-dihydrobenzo[b][1]benzothiepin-5-amine Traditional Name: (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-methyl-propargyl-amine Formula: C18H16ClNS MolecularWeight: 313.84434

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC#C)C1CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

Isomeric SMILES

CN(CC#C)C1CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C18H16ClNS/c1-3-10-20(2)16-11-13-6-4-5-7-17(13)21-18-9-8-14(19)12-15(16)18/h1,4-9,12,16H,10-11H2,2H3