N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN=C(S1)C2CCCCC2)SC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=NN=C(S1)C2CCCCC2)SC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS2/c1-2-18(29-19-13-17(23-14-24-19)15-9-5-3-6-10-15)20(28)25-22-27-26-21(30-22)16-11-7-4-8-12-16/h3,5-6,9-10,13-14,16,18H,2,4,7-8,11-12H2,1H3,(H,25,27,28)