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

Systemtic Name: 5-chloranyl-2-[(4-methylphenyl)methylsulfonyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-(p-tolylmethylsulfonyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-[(4-methylphenyl)methylsulfonyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-[(4-methylphenyl)methylsulfonyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methylbenzyl)sulfonyl-pyrimidine-4-carboxamide Formula: C18H18ClN5O3S2 MolecularWeight: 451.95022

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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)C(C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN5O3S2/c1-10(2)16-23-24-17(28-16)22-15(25)14-13(19)8-20-18(21-14)29(26,27)9-12-6-4-11(3)5-7-12/h4-8,10H,9H2,1-3H3,(H,22,24,25)