3-hexadecylsulfanyl-5-(3-methylphenyl)-1H-1,2,4-triazole

Systemtic Name: 3-hexadecylsulfanyl-5-(3-methylphenyl)-1H-1,2,4-triazole Openeye Name: 3-hexadecylsulfanyl-5-(m-tolyl)-1H-1,2,4-triazole CAS Name: 3-(hexadecylthio)-5-(3-methylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-hexadecylsulfanyl-5-(3-methylphenyl)-1H-1,2,4-triazole Traditional Name: 3-(cetylthio)-5-(m-tolyl)-1H-1,2,4-triazole Formula: C25H41N3S MolecularWeight: 415.67814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=NNC(=N1)C2=CC(=CC=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=NNC(=N1)C2=CC(=CC=C2)C

InChI

InChI=1S/C25H41N3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-29-25-26-24(27-28-25)23-19-17-18-22(2)21-23/h17-19,21H,3-16,20H2,1-2H3,(H,26,27,28)