4-[[(2S,3S,4S)-4-azido-3-oxidanyl-thiolan-2-yl]-(4-cyanophenyl)sulfanyl-methyl]sulfanylbenzenecarbonitrile

Systemtic Name: 4-[[(2S,3S,4S)-4-azido-3-oxidanyl-thiolan-2-yl]-(4-cyanophenyl)sulfanyl-methyl]sulfanylbenzenecarbonitrile Openeye Name: 4-[[(2S,3S,4S)-4-azido-3-hydroxy-tetrahydrothiophen-2-yl]-(4-cyanophenyl)sulfanyl-methyl]sulfanylbenzonitrile CAS Name: 4-[[[(2S,3S,4S)-4-azido-3-hydroxy-2-thiolanyl]-[(4-cyanophenyl)thio]methyl]thio]benzonitrile IUPAC Name: 4-[[(2S,3S,4S)-4-azido-3-hydroxythiolan-2-yl]-(4-cyanophenyl)sulfanylmethyl]sulfanylbenzonitrile Traditional Name: 4-[[[(2S,3S,4S)-4-azido-3-hydroxy-tetrahydrothiophen-2-yl]-[(4-cyanophenyl)thio]methyl]thio]benzonitrile Formula: C19H15N5OS3 MolecularWeight: 425.5503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(S1)C(SC2=CC=C(C=C2)C#N)SC3=CC=C(C=C3)C#N)O)N=[N+]=[N-]

Isomeric SMILES

C1[C@H]([C@@H]([C@H](S1)C(SC2=CC=C(C=C2)C#N)SC3=CC=C(C=C3)C#N)O)N=[N+]=[N-]

InChI

InChI=1S/C19H15N5OS3/c20-9-12-1-5-14(6-2-12)27-19(18-17(25)16(11-26-18)23-24-22)28-15-7-3-13(10-21)4-8-15/h1-8,16-19,25H,11H2/t16-,17+,18+/m1/s1