N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanamide

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanamide Openeye Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]propanamide IUPAC Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]propionamide Formula: C19H21N5O2S3 MolecularWeight: 447.59734

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)CCC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)CCC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

InChI

InChI=1S/C19H21N5O2S3/c1-3-27-19-24-23-18(29-19)21-15(25)10-9-14-12(2)20-17(22-16(14)26)28-11-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3,(H,20,22,26)(H,21,23,25)