4-[[5-[(2,3-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[5-[(2,3-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]butanenitrile IUPAC Name: 4-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]butyronitrile Formula: C14H16N4S2 MolecularWeight: 304.43364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NN=C(S2)SCCCC#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NN=C(S2)SCCCC#N)C

InChI

InChI=1S/C14H16N4S2/c1-10-6-5-7-12(11(10)2)16-13-17-18-14(20-13)19-9-4-3-8-15/h5-7H,3-4,9H2,1-2H3,(H,16,17)