3-[4-(4-tert-butylphenyl)-5-octylsulfanyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[4-(4-tert-butylphenyl)-5-octylsulfanyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-(4-tert-butylphenyl)-5-octylsulfanyl-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(4-tert-butylphenyl)-5-(octylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-(4-tert-butylphenyl)-5-octylsulfanyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-(4-tert-butylphenyl)-5-(octylthio)-1,2,4-triazol-3-yl]pyridine Formula: C25H34N4S MolecularWeight: 422.62926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NN=C(N1C2=CC=C(C=C2)C(C)(C)C)C3=CN=CC=C3

Isomeric SMILES

CCCCCCCCSC1=NN=C(N1C2=CC=C(C=C2)C(C)(C)C)C3=CN=CC=C3

InChI

InChI=1S/C25H34N4S/c1-5-6-7-8-9-10-18-30-24-28-27-23(20-12-11-17-26-19-20)29(24)22-15-13-21(14-16-22)25(2,3)4/h11-17,19H,5-10,18H2,1-4H3