4-tert-butyl-3-dodecan-2-ylsulfanyl-5-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 4-tert-butyl-3-dodecan-2-ylsulfanyl-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-4-tert-butyl-5-(1-methylundecylsulfanyl)-1,2,4-triazole CAS Name: 4-tert-butyl-3-(dodecan-2-ylthio)-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-4-tert-butyl-5-dodecan-2-ylsulfanyl-1,2,4-triazole Traditional Name: 3-benzyl-4-tert-butyl-5-(1-methylundecylthio)-1,2,4-triazole Formula: C25H41N3S MolecularWeight: 415.67814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)SC1=NN=C(N1C(C)(C)C)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCC(C)SC1=NN=C(N1C(C)(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C25H41N3S/c1-6-7-8-9-10-11-12-14-17-21(2)29-24-27-26-23(28(24)25(3,4)5)20-22-18-15-13-16-19-22/h13,15-16,18-19,21H,6-12,14,17,20H2,1-5H3