4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazole

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazole Openeye Name: 3-allylsulfanyl-4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazole CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-5-(prop-2-enylthio)-1,2,4-triazole IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazole Traditional Name: 3-(allylthio)-5-phenyl-4-piperonyl-1,2,4-triazole Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(N1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

C=CCSC1=NN=C(N1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

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