5-bromanyl-2-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine

Systemtic Name: 5-bromanyl-2-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine Openeye Name: 5-bromo-2-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]pyridine CAS Name: 5-bromo-2-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]pyridine IUPAC Name: 5-bromo-2-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine Traditional Name: 5-bromo-2-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]pyridine Formula: C18H16BrNS MolecularWeight: 358.29534

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)Br)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)Br)C

InChI

InChI=1S/C18H16BrNS/c1-18(2)9-10-21-17-8-4-13(11-16(17)18)3-6-15-7-5-14(19)12-20-15/h4-5,7-8,11-12H,9-10H2,1-2H3