N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]-9H-xanthene-9-carboxamide Openeye Name: N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]-9H-xanthene-9-carboxamide CAS Name: N-[2-[(5-phenyl-1H-imidazol-2-yl)thio]ethyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]-9H-xanthene-9-carboxamide Traditional Name: N-[2-[(5-phenyl-1H-imidazol-2-yl)thio]ethyl]-9H-xanthene-9-carboxamide Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(N2)SCCNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(N2)SCCNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C25H21N3O2S/c29-24(23-18-10-4-6-12-21(18)30-22-13-7-5-11-19(22)23)26-14-15-31-25-27-16-20(28-25)17-8-2-1-3-9-17/h1-13,16,23H,14-15H2,(H,26,29)(H,27,28)