3-(3,4-dihydro-1H-isothiochromen-4-ylamino)-5-fluoranyl-4-methyl-benzenecarbonitrile

Systemtic Name: 3-(3,4-dihydro-1H-isothiochromen-4-ylamino)-5-fluoranyl-4-methyl-benzenecarbonitrile Openeye Name: 3-fluoro-5-(isothiochroman-4-ylamino)-4-methyl-benzonitrile CAS Name: 3-(3,4-dihydro-1H-2-benzothiopyran-4-ylamino)-5-fluoro-4-methylbenzonitrile IUPAC Name: 3-(3,4-dihydro-1H-isothiochromen-4-ylamino)-5-fluoro-4-methylbenzonitrile Traditional Name: 3-fluoro-5-(isothiochroman-4-ylamino)-4-methyl-benzonitrile Formula: C17H15FN2S MolecularWeight: 298.377803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1F)C#N)NC2CSCC3=CC=CC=C23

Isomeric SMILES

CC1=C(C=C(C=C1F)C#N)NC2CSCC3=CC=CC=C23

InChI

InChI=1S/C17H15FN2S/c1-11-15(18)6-12(8-19)7-16(11)20-17-10-21-9-13-4-2-3-5-14(13)17/h2-7,17,20H,9-10H2,1H3