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

Systemtic Name: 2-bromanyl-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-methoxy-benzamide Openeye Name: 2-bromo-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-methoxy-benzamide CAS Name: 2-bromo-N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-methoxybenzamide IUPAC Name: 2-bromo-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-methoxybenzamide Traditional Name: 2-bromo-N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-5-methoxy-benzamide Formula: C18H13BrN4O2S2 MolecularWeight: 461.35542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN4O2S2/c1-25-13-6-7-15(19)14(8-13)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)