2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-[(4-methoxyphenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]acetonitrile IUPAC Name: 2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(p-anisylthio)-1,3,4-thiadiazol-2-yl]thio]acetonitrile Formula: C12H11N3OS3 MolecularWeight: 309.43024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=NN=C(S2)SCC#N

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=NN=C(S2)SCC#N

InChI

InChI=1S/C12H11N3OS3/c1-16-10-4-2-9(3-5-10)8-18-12-15-14-11(19-12)17-7-6-13/h2-5H,7-8H2,1H3