3-methyl-N-[5-[(3-oxidanylidene-4H-quinoxalin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3-methyl-N-[5-[(3-oxidanylidene-4H-quinoxalin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3-methyl-N-[5-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3-methyl-N-[5-[(3-oxo-4H-quinoxalin-2-yl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-methyl-N-[5-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: N-[5-[(3-keto-4H-quinoxalin-2-yl)methylthio]-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide Formula: C19H15N5O2S2 MolecularWeight: 409.4847

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC3=NC4=CC=CC=C4NC3=O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC3=NC4=CC=CC=C4NC3=O

InChI

InChI=1S/C19H15N5O2S2/c1-11-5-4-6-12(9-11)16(25)22-18-23-24-19(28-18)27-10-15-17(26)21-14-8-3-2-7-13(14)20-15/h2-9H,10H2,1H3,(H,21,26)(H,22,23,25)