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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCCCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCCCC#N

InChI

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