4-phenyl-3-tridecyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-phenyl-3-tridecyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-phenyl-3-tridecyl-1H-1,2,4-triazole-5-thione CAS Name: 4-phenyl-3-tridecyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-phenyl-3-tridecyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-phenyl-3-tridecyl-1H-1,2,4-triazole-5-thione Formula: C21H33N3S MolecularWeight: 359.57182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=NNC(=S)N1C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCC1=NNC(=S)N1C2=CC=CC=C2

InChI

InChI=1S/C21H33N3S/c1-2-3-4-5-6-7-8-9-10-11-15-18-20-22-23-21(25)24(20)19-16-13-12-14-17-19/h12-14,16-17H,2-11,15,18H2,1H3,(H,23,25)