2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(tetrahydrofuran-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(2-oxolanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-(tetrahydrofurfurylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile Formula: C15H16N4OS2 MolecularWeight: 332.44374

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NN=C(S2)SCC3=CC=CC=C3C#N

Isomeric SMILES

C1CC(OC1)CNC2=NN=C(S2)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C15H16N4OS2/c16-8-11-4-1-2-5-12(11)10-21-15-19-18-14(22-15)17-9-13-6-3-7-20-13/h1-2,4-5,13H,3,6-7,9-10H2,(H,17,18)