3-(1,3-benzodioxol-5-yl)-4-phenyl-5-(3-phenylpropylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-phenyl-5-(3-phenylpropylsulfanyl)-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-phenyl-5-(3-phenylpropylsulfanyl)-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yl)-4-phenyl-5-(3-phenylpropylthio)-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-phenyl-5-(3-phenylpropylsulfanyl)-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-phenyl-5-(3-phenylpropylthio)-1,2,4-triazole Formula: C24H21N3O2S MolecularWeight: 415.50744

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCCCC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCCCC5=CC=CC=C5

InChI

InChI=1S/C24H21N3O2S/c1-3-8-18(9-4-1)10-7-15-30-24-26-25-23(27(24)20-11-5-2-6-12-20)19-13-14-21-22(16-19)29-17-28-21/h1-6,8-9,11-14,16H,7,10,15,17H2