3-(5-chloranyl-1-benzothiophen-3-yl)-4-[1-(3-oxidanylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione

Systemtic Name: 3-(5-chloranyl-1-benzothiophen-3-yl)-4-[1-(3-oxidanylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione Openeye Name: 3-(5-chlorobenzothiophen-3-yl)-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione CAS Name: 3-(5-chloro-1-benzothiophen-3-yl)-4-[1-(3-hydroxypropyl)-3-pyrrolo[2,3-b]pyridinyl]pyrrole-2,5-dione IUPAC Name: 3-(5-chloro-1-benzothiophen-3-yl)-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione Traditional Name: 3-(5-chlorobenzothiophen-3-yl)-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-3-pyrroline-2,5-quinone Formula: C22H16ClN3O3S MolecularWeight: 437.89874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(N=C1)N(C=C2C3=C(C(=O)NC3=O)C4=CSC5=C4C=C(C=C5)Cl)CCCO

Isomeric SMILES

C1=CC2=C(N=C1)N(C=C2C3=C(C(=O)NC3=O)C4=CSC5=C4C=C(C=C5)Cl)CCCO

InChI

InChI=1S/C22H16ClN3O3S/c23-12-4-5-17-14(9-12)16(11-30-17)19-18(21(28)25-22(19)29)15-10-26(7-2-8-27)20-13(15)3-1-6-24-20/h1,3-6,9-11,27H,2,7-8H2,(H,25,28,29)