5-chloranyl-2-ethylsulfanyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-ethylsulfanyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-ethylsulfanyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(ethylthio)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-ethylsulfanyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(ethylthio)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrimidine-4-carboxamide Formula: C21H17ClN4OS2 MolecularWeight: 440.96888

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)Cl

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)Cl

InChI

InChI=1S/C21H17ClN4OS2/c1-3-28-21-23-11-15(22)18(26-21)19(27)24-14-7-5-13(6-8-14)20-25-16-9-4-12(2)10-17(16)29-20/h4-11H,3H2,1-2H3,(H,24,27)