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

Systemtic Name: N-(3-chlorophenyl)-2-[(5-pyrimidin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chlorophenyl)-2-[(5-pyrimidin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-chlorophenyl)-2-[[5-(4-pyrimidinyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-chlorophenyl)-2-[(5-pyrimidin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chlorophenyl)-2-[[5-(4-pyrimidyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C14H11ClN6OS MolecularWeight: 346.79474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC(=O)CSC2=NNC(=N2)C3=NC=NC=C3

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC(=O)CSC2=NNC(=N2)C3=NC=NC=C3

InChI

InChI=1S/C14H11ClN6OS/c15-9-2-1-3-10(6-9)18-12(22)7-23-14-19-13(20-21-14)11-4-5-16-8-17-11/h1-6,8H,7H2,(H,18,22)(H,19,20,21)