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

Systemtic Name: 5-chloranyl-2-(phenylmethyl)sulfonyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfonyl-5-chloro-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(phenylmethyl)sulfonyl-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfonyl-5-chloro-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: 2-benzylsulfonyl-5-chloro-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide Formula: C17H16ClN5O3S3 MolecularWeight: 469.98864

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCSC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H16ClN5O3S3/c1-2-8-27-17-23-22-15(28-17)21-14(24)13-12(18)9-19-16(20-13)29(25,26)10-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H,21,22,24)