2-butyl-1,3-bis(oxidanylidene)-N-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]isoindole-5-carboxamide

Systemtic Name: 2-butyl-1,3-bis(oxidanylidene)-N-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]isoindole-5-carboxamide Openeye Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2-butyl-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-1,3-dioxo-N-[3-(phenylmethylthio)-1H-1,2,4-triazol-5-yl]-5-isoindolecarboxamide IUPAC Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-[3-(benzylthio)-1H-1,2,4-triazol-5-yl]-2-butyl-1,3-diketo-isoindoline-5-carboxamide Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NC(=NN3)SCC4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NC(=NN3)SCC4=CC=CC=C4

InChI

InChI=1S/C22H21N5O3S/c1-2-3-11-27-19(29)16-10-9-15(12-17(16)20(27)30)18(28)23-21-24-22(26-25-21)31-13-14-7-5-4-6-8-14/h4-10,12H,2-3,11,13H2,1H3,(H2,23,24,25,26,28)