1-[2-[4-(phenylsulfinyl)phenyl]octyl]-1,2,4-triazole

Systemtic Name: 1-[2-[4-(phenylsulfinyl)phenyl]octyl]-1,2,4-triazole Openeye Name: 1-[2-[4-(benzenesulfinyl)phenyl]octyl]-1,2,4-triazole CAS Name: 1-[2-[4-(benzenesulfinyl)phenyl]octyl]-1,2,4-triazole IUPAC Name: 1-[2-[4-(benzenesulfinyl)phenyl]octyl]-1,2,4-triazole Traditional Name: 1-[2-[4-(benzenesulfinyl)phenyl]octyl]-1,2,4-triazole Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CN1C=NC=N1)C2=CC=C(C=C2)S(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC(CN1C=NC=N1)C2=CC=C(C=C2)S(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3OS/c1-2-3-4-6-9-20(16-25-18-23-17-24-25)19-12-14-22(15-13-19)27(26)21-10-7-5-8-11-21/h5,7-8,10-15,17-18,20H,2-4,6,9,16H2,1H3