3-heptyl-4-phenyl-1H-1,2,4-triazole-5-thione; methanol

Systemtic Name: 3-heptyl-4-phenyl-1H-1,2,4-triazole-5-thione; methanol Openeye Name: 3-heptyl-4-phenyl-1H-1,2,4-triazole-5-thione; methanol CAS Name: 3-heptyl-4-phenyl-1H-1,2,4-triazole-5-thione; methanol IUPAC Name: 3-heptyl-4-phenyl-1H-1,2,4-triazole-5-thione; methanol Traditional Name: 3-heptyl-4-phenyl-1H-1,2,4-triazole-5-thione; methanol Formula: C16H25N3OS MolecularWeight: 307.4542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NNC(=S)N1C2=CC=CC=C2.CO

Isomeric SMILES

CCCCCCCC1=NNC(=S)N1C2=CC=CC=C2.CO

InChI

InChI=1S/C15H21N3S.CH4O/c1-2-3-4-5-9-12-14-16-17-15(19)18(14)13-10-7-6-8-11-13;1-2/h6-8,10-11H,2-5,9,12H2,1H3,(H,17,19);2H,1H3