2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-yl-propanamide

Systemtic Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-yl-propanamide Openeye Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-yl-propanamide CAS Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-pyrimidinyl)propanamide IUPAC Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-ylpropanamide Traditional Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-pyrimidyl)propionamide Formula: C15H13ClN6OS MolecularWeight: 360.82132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=CC=N1)SC2=NNC(=N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)NC1=NC=CC=N1)SC2=NNC(=N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H13ClN6OS/c1-9(13(23)20-14-17-7-2-8-18-14)24-15-19-12(21-22-15)10-3-5-11(16)6-4-10/h2-9H,1H3,(H,19,21,22)(H,17,18,20,23)