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

Systemtic Name: 2-[[5-[(3-chloranyl-4-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(3-chloro-4-methyl-anilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]thio]acetonitrile IUPAC Name: 2-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(3-chloro-4-methyl-anilino)-1,3,4-thiadiazol-2-yl]thio]acetonitrile Formula: C11H9ClN4S2 MolecularWeight: 296.79896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9ClN4S2/c1-7-2-3-8(6-9(7)12)14-10-15-16-11(18-10)17-5-4-13/h2-3,6H,5H2,1H3,(H,14,15)