5-chloranyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(m-tolylmethylsulfonyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[(3-methylphenyl)methylsulfonyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-(3-methylbenzyl)sulfonyl-pyrimidine-4-carboxamide Formula: C17H16ClN5O3S3 MolecularWeight: 469.98864

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN5O3S3/c1-3-27-17-23-22-15(28-17)21-14(24)13-12(18)8-19-16(20-13)29(25,26)9-11-6-4-5-10(2)7-11/h4-8H,3,9H2,1-2H3,(H,21,22,24)