6-phenyl-3-prop-2-ynylsulfanyl-2H-1,2,4-triazin-5-one

Systemtic Name: 6-phenyl-3-prop-2-ynylsulfanyl-2H-1,2,4-triazin-5-one Openeye Name: 6-phenyl-3-prop-2-ynylsulfanyl-2H-1,2,4-triazin-5-one CAS Name: 6-phenyl-3-(prop-2-ynylthio)-2H-1,2,4-triazin-5-one IUPAC Name: 6-phenyl-3-prop-2-ynylsulfanyl-2H-1,2,4-triazin-5-one Traditional Name: 6-phenyl-3-(propargylthio)-2H-1,2,4-triazin-5-one Formula: C12H9N3OS MolecularWeight: 243.28436

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC(=O)C(=NN1)C2=CC=CC=C2

Isomeric SMILES

C#CCSC1=NC(=O)C(=NN1)C2=CC=CC=C2

InChI

InChI=1S/C12H9N3OS/c1-2-8-17-12-13-11(16)10(14-15-12)9-6-4-3-5-7-9/h1,3-7H,8H2,(H,13,15,16)