2-[4-[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]phenyl]ethanenitrile

Systemtic Name: 2-[4-[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]phenyl]ethanenitrile Openeye Name: 2-[4-[(6-chlorothiochroman-4-yl)amino]phenyl]acetonitrile CAS Name: 2-[4-[(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]phenyl]acetonitrile IUPAC Name: 2-[4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]phenyl]acetonitrile Traditional Name: 2-[4-[(6-chlorothiochroman-4-yl)amino]phenyl]acetonitrile Formula: C17H15ClN2S MolecularWeight: 314.8324

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC3=CC=C(C=C3)CC#N)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NC3=CC=C(C=C3)CC#N)C=C(C=C2)Cl

InChI

InChI=1S/C17H15ClN2S/c18-13-3-6-17-15(11-13)16(8-10-21-17)20-14-4-1-12(2-5-14)7-9-19/h1-6,11,16,20H,7-8,10H2