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

Systemtic Name: 3-chloranyl-N-prop-2-ynyl-5,6-dihydrobenzo[b][1]benzothiepin-5-amine Openeye Name: 3-chloro-N-prop-2-ynyl-5,6-dihydrobenzo[b][1]benzothiepin-5-amine CAS Name: 3-chloro-N-prop-2-ynyl-5,6-dihydrobenzo[b][1]benzothiepin-5-amine IUPAC Name: 3-chloro-N-prop-2-ynyl-5,6-dihydrobenzo[b][1]benzothiepin-5-amine Traditional Name: (3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-propargyl-amine Formula: C17H14ClNS MolecularWeight: 299.81776

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

Isomeric SMILES

C#CCNC1CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C17H14ClNS/c1-2-9-19-15-10-12-5-3-4-6-16(12)20-17-8-7-13(18)11-14(15)17/h1,3-8,11,15,19H,9-10H2