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

Systemtic Name: 5-chloranyl-2-[(4-methylphenyl)methylsulfonyl]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-(p-tolylmethylsulfonyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-[(4-methylphenyl)methylsulfonyl]-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-[(4-methylphenyl)methylsulfonyl]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-5-chloro-2-(4-methylbenzyl)sulfonyl-pyrimidine-4-carboxamide Formula: C18H16ClN5O3S3 MolecularWeight: 481.99934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=NN=C(S3)SCC=C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=NN=C(S3)SCC=C)Cl

InChI

InChI=1S/C18H16ClN5O3S3/c1-3-8-28-18-24-23-16(29-18)22-15(25)14-13(19)9-20-17(21-14)30(26,27)10-12-6-4-11(2)5-7-12/h3-7,9H,1,8,10H2,2H3,(H,22,23,25)