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

Systemtic Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-5-chloranyl-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfonyl-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-5-chloro-pyrimidine-4-carboxamide CAS Name: N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-5-chloro-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfonyl-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-5-chloropyrimidine-4-carboxamide Traditional Name: 2-benzylsulfonyl-N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-5-chloro-pyrimidine-4-carboxamide Formula: C18H18ClN5O3S3 MolecularWeight: 484.01522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCSC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H18ClN5O3S3/c1-2-3-9-28-18-24-23-16(29-18)22-15(25)14-13(19)10-20-17(21-14)30(26,27)11-12-7-5-4-6-8-12/h4-8,10H,2-3,9,11H2,1H3,(H,22,23,25)