3-acetamido-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide

Systemtic Name: 3-acetamido-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: 3-acetamido-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide CAS Name: 3-acetamido-N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 3-acetamido-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide Traditional Name: 3-acetamido-N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]propionamide Formula: C15H15N5O2S2 MolecularWeight: 361.4419

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(=O)NCCC(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H15N5O2S2/c1-10(21)17-7-6-13(22)18-14-19-20-15(24-14)23-9-12-4-2-11(8-16)3-5-12/h2-5H,6-7,9H2,1H3,(H,17,21)(H,18,19,22)