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

Systemtic Name: 5-chloranyl-2-ethylsulfanyl-N-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-ethylsulfanyl-N-[5-(o-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(ethylthio)-N-[5-[(2-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-ethylsulfanyl-N-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(ethylthio)-N-[5-[(2-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide Formula: C17H16ClN5OS3 MolecularWeight: 437.98984

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3C)Cl

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3C)Cl

InChI

InChI=1S/C17H16ClN5OS3/c1-3-25-15-19-8-12(18)13(20-15)14(24)21-16-22-23-17(27-16)26-9-11-7-5-4-6-10(11)2/h4-8H,3,9H2,1-2H3,(H,21,22,24)