15-(2-methylphenyl)sulfanyl-10,20-diphenyl-21,22-dihydroporphyrin

Systemtic Name: 15-(2-methylphenyl)sulfanyl-10,20-diphenyl-21,22-dihydroporphyrin Openeye Name: 15-(o-tolylsulfanyl)-10,20-diphenyl-21,22-dihydroporphyrin CAS Name: 15-[(2-methylphenyl)thio]-10,20-diphenyl-21,22-dihydroporphyrin IUPAC Name: 15-(2-methylphenyl)sulfanyl-10,20-diphenyl-21,22-dihydroporphyrin Traditional Name: 15-(o-tolylthio)-10,20-diphenyl-21,22-dihydroporphine Formula: C39H28N4S MolecularWeight: 584.73142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=C3C=CC(=N3)C(=C4C=CC(=CC5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)N4)C8=CC=CC=C8

Isomeric SMILES

CC1=CC=CC=C1SC2=C3C=CC(=N3)C(=C4C=CC(=CC5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)N4)C8=CC=CC=C8

InChI

InChI=1S/C39H28N4S/c1-25-10-8-9-15-36(25)44-39-34-22-20-32(42-34)37(26-11-4-2-5-12-26)30-18-16-28(40-30)24-29-17-19-31(41-29)38(27-13-6-3-7-14-27)33-21-23-35(39)43-33/h2-24,40-41H,1H3