2-[[5-[(2,4-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pentanedinitrile

Systemtic Name: 2-[[5-[(2,4-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pentanedinitrile Openeye Name: 2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pentanedinitrile CAS Name: 2-[[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]pentanedinitrile IUPAC Name: 2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pentanedinitrile Traditional Name: 2-[[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]glutaronitrile Formula: C16H17N5S2 MolecularWeight: 343.46968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5S2/c1-11-5-6-14(12(2)8-11)19-15-20-21-16(23-15)22-10-13(9-18)4-3-7-17/h5-6,8,13H,3-4,10H2,1-2H3,(H,19,20)