(E)-3-azanyl-2-[2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[5-[(4-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]thio]acetyl]but-2-enenitrile Formula: C15H13ClN4OS3 MolecularWeight: 396.93792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NN=C(S1)SCC2=CC=C(C=C2)Cl)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NN=C(S1)SCC2=CC=C(C=C2)Cl)/N

InChI

InChI=1S/C15H13ClN4OS3/c1-9(18)12(6-17)13(21)8-23-15-20-19-14(24-15)22-7-10-2-4-11(16)5-3-10/h2-5H,7-8,18H2,1H3/b12-9+