1-[(3S)-2-methyl-3-phenylsulfanyl-heptan-3-yl]benzotriazole

Systemtic Name: 1-[(3S)-2-methyl-3-phenylsulfanyl-heptan-3-yl]benzotriazole Openeye Name: 1-[(1S)-1-isopropyl-1-phenylsulfanyl-pentyl]benzotriazole CAS Name: 1-[(3S)-2-methyl-3-(phenylthio)heptan-3-yl]benzotriazole IUPAC Name: 1-[(3S)-2-methyl-3-phenylsulfanylheptan-3-yl]benzotriazole Traditional Name: 1-[(1S)-1-isopropyl-1-(phenylthio)pentyl]benzotriazole Formula: C20H25N3S MolecularWeight: 339.4976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)C)(N1C2=CC=CC=C2N=N1)SC3=CC=CC=C3

Isomeric SMILES

CCCC[C@](C(C)C)(N1C2=CC=CC=C2N=N1)SC3=CC=CC=C3

InChI

InChI=1S/C20H25N3S/c1-4-5-15-20(16(2)3,24-17-11-7-6-8-12-17)23-19-14-10-9-13-18(19)21-22-23/h6-14,16H,4-5,15H2,1-3H3/t20-/m0/s1