N-butyl-2-chloranyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: N-butyl-2-chloranyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-butyl-2-chloro-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-butyl-2-chloro-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-butyl-2-chloro-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: N-butyl-2-chloro-N-(5-p-phenetyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=NN=C(S1)C2=CC=C(C=C2)OCC)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCCCN(C1=NN=C(S1)C2=CC=C(C=C2)OCC)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-3-5-14-25(20(26)17-8-6-7-9-18(17)22)21-24-23-19(28-21)15-10-12-16(13-11-15)27-4-2/h6-13H,3-5,14H2,1-2H3