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

Systemtic Name: 3-hexadecyl-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-hexadecyl-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-hexadecyl-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-hexadecyl-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-cetyl-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C24H39N3S MolecularWeight: 401.65156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=NNC(=S)N1C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=NNC(=S)N1C2=CC=CC=C2

InChI

InChI=1S/C24H39N3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23-25-26-24(28)27(23)22-19-16-15-17-20-22/h15-17,19-20H,2-14,18,21H2,1H3,(H,26,28)