3-(3-methylbutylsulfanyl)-6-phenyl-2H-1,2,4-triazin-5-one

Systemtic Name: 3-(3-methylbutylsulfanyl)-6-phenyl-2H-1,2,4-triazin-5-one Openeye Name: 3-isopentylsulfanyl-6-phenyl-2H-1,2,4-triazin-5-one CAS Name: 3-(3-methylbutylthio)-6-phenyl-2H-1,2,4-triazin-5-one IUPAC Name: 3-(3-methylbutylsulfanyl)-6-phenyl-2H-1,2,4-triazin-5-one Traditional Name: 3-(isoamylthio)-6-phenyl-2H-1,2,4-triazin-5-one Formula: C14H17N3OS MolecularWeight: 275.36928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3OS/c1-10(2)8-9-19-14-15-13(18)12(16-17-14)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,17,18)