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

Systemtic Name: 5-chloranyl-2-[(3-methylphenyl)methylsulfonyl]-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-(m-tolylmethylsulfonyl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-[(3-methylphenyl)methylsulfonyl]-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-[(3-methylphenyl)methylsulfonyl]-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(3-methylbenzyl)sulfonyl-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide Formula: C18H18ClN5O3S3 MolecularWeight: 484.01522

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC(=C3)C

Isomeric SMILES

CCCSC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC(=C3)C

InChI

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