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

Systemtic Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[(6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2-[(6-phenylpyrimidin-4-yl)thio]butyramide Formula: C20H23N5OS2 MolecularWeight: 413.55952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN=C(S1)CC(C)C)SC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=NN=C(S1)CC(C)C)SC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H23N5OS2/c1-4-16(19(26)23-20-25-24-18(28-20)10-13(2)3)27-17-11-15(21-12-22-17)14-8-6-5-7-9-14/h5-9,11-13,16H,4,10H2,1-3H3,(H,23,25,26)