N-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-heptoxy-benzamide

Systemtic Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-heptoxy-benzamide Openeye Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-heptoxy-benzamide CAS Name: N-[5-[(2-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-heptoxybenzamide IUPAC Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-heptoxybenzamide Traditional Name: N-[5-[(2-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-heptoxy-benzamide Formula: C23H26ClN3O2S2 MolecularWeight: 476.05444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3Cl

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3Cl

InChI

InChI=1S/C23H26ClN3O2S2/c1-2-3-4-5-8-15-29-19-13-11-17(12-14-19)21(28)25-22-26-27-23(31-22)30-16-18-9-6-7-10-20(18)24/h6-7,9-14H,2-5,8,15-16H2,1H3,(H,25,26,28)