1,3-bis(oxidanylidene)-N-[5-(pyridin-4-ylmethylamino)-1,3,4-thiadiazol-2-yl]-2-benzofuran-5-carboxamide

Systemtic Name: 1,3-bis(oxidanylidene)-N-[5-(pyridin-4-ylmethylamino)-1,3,4-thiadiazol-2-yl]-2-benzofuran-5-carboxamide Openeye Name: 1,3-dioxo-N-[5-(4-pyridylmethylamino)-1,3,4-thiadiazol-2-yl]isobenzofuran-5-carboxamide CAS Name: 1,3-dioxo-N-[5-(pyridin-4-ylmethylamino)-1,3,4-thiadiazol-2-yl]-5-isobenzofurancarboxamide IUPAC Name: 1,3-dioxo-N-[5-(pyridin-4-ylmethylamino)-1,3,4-thiadiazol-2-yl]-2-benzofuran-5-carboxamide Traditional Name: 1,3-diketo-N-[5-(4-pyridylmethylamino)-1,3,4-thiadiazol-2-yl]phthalan-5-carboxamide Formula: C17H11N5O4S MolecularWeight: 381.36534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NC3=NN=C(S3)NCC4=CC=NC=C4)C(=O)OC2=O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NC3=NN=C(S3)NCC4=CC=NC=C4)C(=O)OC2=O

InChI

InChI=1S/C17H11N5O4S/c23-13(10-1-2-11-12(7-10)15(25)26-14(11)24)20-17-22-21-16(27-17)19-8-9-3-5-18-6-4-9/h1-7H,8H2,(H,19,21)(H,20,22,23)