5-chloranyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfonyl-5-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfonyl-5-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: 2-benzylsulfonyl-5-chloro-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide Formula: C16H14ClN5O3S3 MolecularWeight: 455.96206

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H14ClN5O3S3/c1-2-26-16-22-21-14(27-16)20-13(23)12-11(17)8-18-15(19-12)28(24,25)9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,20,21,23)