N-[4-(10,15,20-trithiophen-2-yl-21,22-dihydroporphyrin-5-yl)phenyl]ethanamide

Systemtic Name: N-[4-(10,15,20-trithiophen-2-yl-21,22-dihydroporphyrin-5-yl)phenyl]ethanamide Openeye Name: N-[4-[10,15,20-tris(2-thienyl)-21,22-dihydroporphyrin-5-yl]phenyl]acetamide CAS Name: N-[4-(10,15,20-trithiophen-2-yl-21,22-dihydroporphyrin-5-yl)phenyl]acetamide IUPAC Name: N-[4-(10,15,20-trithiophen-2-yl-21,22-dihydroporphyrin-5-yl)phenyl]acetamide Traditional Name: N-[4-[10,15,20-tris(2-thienyl)-21,22-dihydroporphin-5-yl]phenyl]acetamide Formula: C40H27N5OS3 MolecularWeight: 689.87028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CS7)C=C5)C8=CC=CS8)C=C4)C9=CC=CS9)N3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CS7)C=C5)C8=CC=CS8)C=C4)C9=CC=CS9)N3

InChI

InChI=1S/C40H27N5OS3/c1-23(46)41-25-10-8-24(9-11-25)37-26-12-14-28(42-26)38(34-5-2-20-47-34)30-16-18-32(44-30)40(36-7-4-22-49-36)33-19-17-31(45-33)39(35-6-3-21-48-35)29-15-13-27(37)43-29/h2-22,42-43H,1H3,(H,41,46)