N-(2,3-dimethylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: N-(2,3-dimethylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine Openeye Name: N-(2,3-dimethylphenyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine CAS Name: N-(2,3-dimethylphenyl)-5-(2-oxanylmethylthio)-1,3,4-thiadiazol-2-amine IUPAC Name: N-(2,3-dimethylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine Traditional Name: (2,3-dimethylphenyl)-[5-(tetrahydropyran-2-ylmethylthio)-1,3,4-thiadiazol-2-yl]amine Formula: C16H21N3OS2 MolecularWeight: 335.48744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NN=C(S2)SCC3CCCCO3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NN=C(S2)SCC3CCCCO3)C

InChI

InChI=1S/C16H21N3OS2/c1-11-6-5-8-14(12(11)2)17-15-18-19-16(22-15)21-10-13-7-3-4-9-20-13/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,17,18)