N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propionamide Formula: C22H25N5OS2 MolecularWeight: 439.5968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SCCC(=O)NC2=NN=C(S2)C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)SCCC(=O)NC2=NN=C(S2)C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS2/c1-15-23-18(16-8-4-2-5-9-16)14-20(24-15)29-13-12-19(28)25-22-27-26-21(30-22)17-10-6-3-7-11-17/h2,4-5,8-9,14,17H,3,6-7,10-13H2,1H3,(H,25,27,28)