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

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: 2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]acetamide Formula: C17H17N5O2S3 MolecularWeight: 419.54418

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

InChI

InChI=1S/C17H17N5O2S3/c1-2-25-17-22-21-16(27-17)20-14(24)9-12-8-13(23)19-15(18-12)26-10-11-6-4-3-5-7-11/h3-8H,2,9-10H2,1H3,(H,18,19,23)(H,20,21,24)