4-butoxy-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 4-butoxy-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 4-butoxy-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 4-butoxy-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-butoxy-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 4-butoxy-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S2/c1-2-3-13-27-17-11-9-16(10-12-17)19(26)22-20-23-24-21(29-20)28-14-18(25)15-7-5-4-6-8-15/h4-12H,2-3,13-14H2,1H3,(H,22,23,26)