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

Systemtic Name: 2-[[5-[(2,4-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]acetonitrile IUPAC Name: 2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]acetonitrile Formula: C12H12N4S2 MolecularWeight: 276.38048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4S2/c1-8-3-4-10(9(2)7-8)14-11-15-16-12(18-11)17-6-5-13/h3-4,7H,6H2,1-2H3,(H,14,15)