N-(3-ethynylphenyl)thian-4-amine

Systemtic Name: N-(3-ethynylphenyl)thian-4-amine Openeye Name: N-(3-ethynylphenyl)tetrahydrothiopyran-4-amine CAS Name: N-(3-ethynylphenyl)-4-thianamine IUPAC Name: N-(3-ethynylphenyl)thian-4-amine Traditional Name: (3-ethynylphenyl)-tetrahydrothiopyran-4-yl-amine Formula: C13H15NS MolecularWeight: 217.3299

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2CCSCC2

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2CCSCC2

InChI

InChI=1S/C13H15NS/c1-2-11-4-3-5-13(10-11)14-12-6-8-15-9-7-12/h1,3-5,10,12,14H,6-9H2