4-(4-phenyl-2,3-dihydro-1,5-benzothiazepin-2-yl)benzenecarbonitrile

Systemtic Name: 4-(4-phenyl-2,3-dihydro-1,5-benzothiazepin-2-yl)benzenecarbonitrile Openeye Name: 4-(4-phenyl-2,3-dihydro-1,5-benzothiazepin-2-yl)benzonitrile CAS Name: 4-(4-phenyl-2,3-dihydro-1,5-benzothiazepin-2-yl)benzonitrile IUPAC Name: 4-(4-phenyl-2,3-dihydro-1,5-benzothiazepin-2-yl)benzonitrile Traditional Name: 4-(4-phenyl-2,3-dihydro-1,5-benzothiazepin-2-yl)benzonitrile Formula: C22H16N2S MolecularWeight: 340.44084

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1C(SC2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H16N2S/c23-15-16-10-12-18(13-11-16)22-14-20(17-6-2-1-3-7-17)24-19-8-4-5-9-21(19)25-22/h1-13,22H,14H2