4-hexyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 4-hexyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-4-hexyl-benzamide CAS Name: 4-hexyl-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-hexyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-4-hexyl-benzamide Formula: C18H23N3OS2 MolecularWeight: 361.52472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC=C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC=C

InChI

InChI=1S/C18H23N3OS2/c1-3-5-6-7-8-14-9-11-15(12-10-14)16(22)19-17-20-21-18(24-17)23-13-4-2/h4,9-12H,2-3,5-8,13H2,1H3,(H,19,20,22)