4-[4-(4-bromophenyl)-2,5-dihydro-1,5-benzothiazepin-2-yl]phenol

Systemtic Name: 4-[4-(4-bromophenyl)-2,5-dihydro-1,5-benzothiazepin-2-yl]phenol Openeye Name: 4-[4-(4-bromophenyl)-2,5-dihydro-1,5-benzothiazepin-2-yl]phenol CAS Name: 4-[4-(4-bromophenyl)-2,5-dihydro-1,5-benzothiazepin-2-yl]phenol IUPAC Name: 4-[4-(4-bromophenyl)-2,5-dihydro-1,5-benzothiazepin-2-yl]phenol Traditional Name: 4-[4-(4-bromophenyl)-2,5-dihydro-1,5-benzothiazepin-2-yl]phenol Formula: C21H16BrNOS MolecularWeight: 410.32684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=CC(S2)C3=CC=C(C=C3)O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)NC(=CC(S2)C3=CC=C(C=C3)O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrNOS/c22-16-9-5-14(6-10-16)19-13-21(15-7-11-17(24)12-8-15)25-20-4-2-1-3-18(20)23-19/h1-13,21,23-24H