3-[[5-[(2-ethyl-6-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[5-[(2-ethyl-6-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-(2-ethyl-6-methyl-anilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]thio]propanenitrile IUPAC Name: 3-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-(2-ethyl-6-methyl-anilino)-1,3,4-thiadiazol-2-yl]thio]propionitrile Formula: C14H16N4S2 MolecularWeight: 304.43364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC2=NN=C(S2)SCCC#N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC2=NN=C(S2)SCCC#N)C

InChI

InChI=1S/C14H16N4S2/c1-3-11-7-4-6-10(2)12(11)16-13-17-18-14(20-13)19-9-5-8-15/h4,6-7H,3,5,9H2,1-2H3,(H,16,17)