5-chloranyl-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-benzamide

Systemtic Name: 5-chloranyl-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-benzamide Openeye Name: 5-chloro-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-benzamide CAS Name: 5-chloro-N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide IUPAC Name: 5-chloro-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide Traditional Name: 5-chloro-N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-methoxy-benzamide Formula: C18H13ClN4O2S2 MolecularWeight: 416.90442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H13ClN4O2S2/c1-25-15-7-6-13(19)8-14(15)16(24)21-17-22-23-18(27-17)26-10-12-4-2-11(9-20)3-5-12/h2-8H,10H2,1H3,(H,21,22,24)