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

Systemtic Name: 3-heptadecyl-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-heptadecyl-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-heptadecyl-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-heptadecyl-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-heptadecyl-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C25H41N3S MolecularWeight: 415.67814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NNC(=S)N1C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NNC(=S)N1C2=CC=CC=C2

InChI

InChI=1S/C25H41N3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24-26-27-25(29)28(24)23-20-17-16-18-21-23/h16-18,20-21H,2-15,19,22H2,1H3,(H,27,29)