1-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one

Systemtic Name: 1-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Openeye Name: 1-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one CAS Name: 1-[[4-phenyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Traditional Name: 1-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]acetone Formula: C15H13N5OS MolecularWeight: 311.36162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=NC=CN=C3

Isomeric SMILES

CC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=NC=CN=C3

InChI

InChI=1S/C15H13N5OS/c1-11(21)10-22-15-19-18-14(13-9-16-7-8-17-13)20(15)12-5-3-2-4-6-12/h2-9H,10H2,1H3