6-chloranyl-N-(3-ethynylphenyl)-3,4-dihydro-2H-thiochromen-4-amine

Systemtic Name: 6-chloranyl-N-(3-ethynylphenyl)-3,4-dihydro-2H-thiochromen-4-amine Openeye Name: 6-chloro-N-(3-ethynylphenyl)thiochroman-4-amine CAS Name: 6-chloro-N-(3-ethynylphenyl)-3,4-dihydro-2H-1-benzothiopyran-4-amine IUPAC Name: 6-chloro-N-(3-ethynylphenyl)-3,4-dihydro-2H-thiochromen-4-amine Traditional Name: (6-chlorothiochroman-4-yl)-(3-ethynylphenyl)amine Formula: C17H14ClNS MolecularWeight: 299.81776

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2CCSC3=C2C=C(C=C3)Cl

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2CCSC3=C2C=C(C=C3)Cl

InChI

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