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

Systemtic Name: 5-chloranyl-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-propylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[5-(m-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-propylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[5-[(3-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-(propylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-propylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[5-[(3-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-(propylthio)pyrimidine-4-carboxamide Formula: C18H18ClN5OS3 MolecularWeight: 452.01642

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SCC3=CC=CC(=C3)C)Cl

Isomeric SMILES

CCCSC1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SCC3=CC=CC(=C3)C)Cl

InChI

InChI=1S/C18H18ClN5OS3/c1-3-7-26-16-20-9-13(19)14(21-16)15(25)22-17-23-24-18(28-17)27-10-12-6-4-5-11(2)8-12/h4-6,8-9H,3,7,10H2,1-2H3,(H,22,23,25)