3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-phenyl-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-phenyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-phenyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-5-phenyl-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-phenyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-phenyl-5-(piperonylthio)-1,2,4-triazole Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C19H17N3O2S/c1-2-10-22-18(15-6-4-3-5-7-15)20-21-19(22)25-12-14-8-9-16-17(11-14)24-13-23-16/h2-9,11H,1,10,12-13H2