15-(4-methylsulfanylphenyl)-5,10,20-triphenyl-21,22-dihydroporphyrin

Systemtic Name: 15-(4-methylsulfanylphenyl)-5,10,20-triphenyl-21,22-dihydroporphyrin Openeye Name: 15-(4-methylsulfanylphenyl)-5,10,20-triphenyl-21,22-dihydroporphyrin CAS Name: 15-[4-(methylthio)phenyl]-5,10,20-triphenyl-21,22-dihydroporphyrin IUPAC Name: 15-(4-methylsulfanylphenyl)-5,10,20-triphenyl-21,22-dihydroporphyrin Traditional Name: 15-[4-(methylthio)phenyl]-5,10,20-triphenyl-21,22-dihydroporphine Formula: C45H32N4S MolecularWeight: 660.82738

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)N4)C9=CC=CC=C9

Isomeric SMILES

CSC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)N4)C9=CC=CC=C9

InChI

InChI=1S/C45H32N4S/c1-50-33-19-17-32(18-20-33)45-40-27-25-38(48-40)43(30-13-7-3-8-14-30)36-23-21-34(46-36)42(29-11-5-2-6-12-29)35-22-24-37(47-35)44(31-15-9-4-10-16-31)39-26-28-41(45)49-39/h2-28,46-47H,1H3