N-but-3-yn-2-yl-3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)NC1CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

Isomeric SMILES

CC(C#C)NC1CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChI

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