3-[(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)sulfanyl]propane-1-thiol

Systemtic Name: 3-[(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)sulfanyl]propane-1-thiol Openeye Name: 3-[(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)sulfanyl]propane-1-thiol CAS Name: 3-[(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)thio]-1-propanethiol IUPAC Name: 3-[(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)sulfanyl]propane-1-thiol Traditional Name: 3-[(10,20-diphenyl-23,24-dihydroporphin-5-yl)thio]propane-1-thiol Formula: C35H28N4S2 MolecularWeight: 568.75362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)SCCCS)C7=CC=CC=C7)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)SCCCS)C7=CC=CC=C7)N3

InChI

InChI=1S/C35H28N4S2/c40-20-7-21-41-35-31-18-16-29(38-31)33(23-8-3-1-4-9-23)27-14-12-25(36-27)22-26-13-15-28(37-26)34(24-10-5-2-6-11-24)30-17-19-32(35)39-30/h1-6,8-19,22,36-37,40H,7,20-21H2