3-hexylsulfanyl-5-(4-phenylphenyl)-1H-1,2,4-triazole

Systemtic Name: 3-hexylsulfanyl-5-(4-phenylphenyl)-1H-1,2,4-triazole Openeye Name: 3-hexylsulfanyl-5-(4-phenylphenyl)-1H-1,2,4-triazole CAS Name: 3-(hexylthio)-5-(4-phenylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-hexylsulfanyl-5-(4-phenylphenyl)-1H-1,2,4-triazole Traditional Name: 3-(hexylthio)-5-(4-phenylphenyl)-1H-1,2,4-triazole Formula: C20H23N3S MolecularWeight: 337.48172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NNC(=N1)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCSC1=NNC(=N1)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3S/c1-2-3-4-8-15-24-20-21-19(22-23-20)18-13-11-17(12-14-18)16-9-6-5-7-10-16/h5-7,9-14H,2-4,8,15H2,1H3,(H,21,22,23)