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

Systemtic Name: N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-heptoxy-benzamide Openeye Name: N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-heptoxy-benzamide CAS Name: N-[5-[(2,4-dichlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-heptoxybenzamide IUPAC Name: N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-heptoxybenzamide Traditional Name: N-[5-[(2,4-dichlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-heptoxy-benzamide Formula: C23H25Cl2N3O2S2 MolecularWeight: 510.4995

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C23H25Cl2N3O2S2/c1-2-3-4-5-6-13-30-19-11-8-16(9-12-19)21(29)26-22-27-28-23(32-22)31-15-17-7-10-18(24)14-20(17)25/h7-12,14H,2-6,13,15H2,1H3,(H,26,27,29)