1-phenyl-2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-phenyl-2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-allyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone CAS Name: 1-phenyl-2-[[4-prop-2-enyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-phenyl-2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-allyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]-1-phenyl-ethanone Formula: C17H15N5OS MolecularWeight: 337.3989

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=NC=CN=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=NC=CN=C3

InChI

InChI=1S/C17H15N5OS/c1-2-10-22-16(14-11-18-8-9-19-14)20-21-17(22)24-12-15(23)13-6-4-3-5-7-13/h2-9,11H,1,10,12H2