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

Systemtic Name: 5-(4-methylphenyl)sulfanyl-10,15,20-triphenyl-21,22-dihydroporphyrin Openeye Name: 10,15,20-triphenyl-5-(p-tolylsulfanyl)-21,22-dihydroporphyrin CAS Name: 5-[(4-methylphenyl)thio]-10,15,20-triphenyl-21,22-dihydroporphyrin IUPAC Name: 5-(4-methylphenyl)sulfanyl-10,15,20-triphenyl-21,22-dihydroporphyrin Traditional Name: 10,15,20-triphenyl-5-(p-tolylthio)-21,22-dihydroporphine Formula: C45H32N4S MolecularWeight: 660.82738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)N3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)N3

InChI

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