2-[(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)sulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)sulfanyl]-1,3-benzothiazole Openeye Name: 2-[(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)sulfanyl]-1,3-benzothiazole CAS Name: 2-[(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)thio]-1,3-benzothiazole IUPAC Name: 2-[(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)sulfanyl]-1,3-benzothiazole Traditional Name: 2-[(10,20-diphenyl-23,24-dihydroporphin-5-yl)thio]-1,3-benzothiazole Formula: C39H25N5S2 MolecularWeight: 627.7793

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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)SC7=NC8=CC=CC=C8S7)C9=CC=CC=C9)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)SC7=NC8=CC=CC=C8S7)C9=CC=CC=C9)N3

InChI

InChI=1S/C39H25N5S2/c1-3-9-24(10-4-1)36-29-17-15-26(40-29)23-27-16-18-30(41-27)37(25-11-5-2-6-12-25)32-20-22-34(43-32)38(33-21-19-31(36)42-33)46-39-44-28-13-7-8-14-35(28)45-39/h1-23,40-41H