3-bromanyl-4-(3,4-dihydro-1H-isothiochromen-4-ylamino)benzenecarbonitrile

Systemtic Name: 3-bromanyl-4-(3,4-dihydro-1H-isothiochromen-4-ylamino)benzenecarbonitrile Openeye Name: 3-bromo-4-(isothiochroman-4-ylamino)benzonitrile CAS Name: 3-bromo-4-(3,4-dihydro-1H-2-benzothiopyran-4-ylamino)benzonitrile IUPAC Name: 3-bromo-4-(3,4-dihydro-1H-isothiochromen-4-ylamino)benzonitrile Traditional Name: 3-bromo-4-(isothiochroman-4-ylamino)benzonitrile Formula: C16H13BrN2S MolecularWeight: 345.25682

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2CS1)NC3=C(C=C(C=C3)C#N)Br

Isomeric SMILES

C1C(C2=CC=CC=C2CS1)NC3=C(C=C(C=C3)C#N)Br

InChI

InChI=1S/C16H13BrN2S/c17-14-7-11(8-18)5-6-15(14)19-16-10-20-9-12-3-1-2-4-13(12)16/h1-7,16,19H,9-10H2