3-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[(5-phenyl-4-piperonyl-1,2,4-triazol-3-yl)thio]propionitrile Formula: C19H16N4O2S MolecularWeight: 364.42094

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCCC#N)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCCC#N)C4=CC=CC=C4

InChI

InChI=1S/C19H16N4O2S/c20-9-4-10-26-19-22-21-18(15-5-2-1-3-6-15)23(19)12-14-7-8-16-17(11-14)25-13-24-16/h1-3,5-8,11H,4,10,12-13H2