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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylprop-2-enylsulfanyl)-5-phenyl-1,2,4-triazole Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylallylsulfanyl)-5-phenyl-1,2,4-triazole CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylprop-2-enylthio)-5-phenyl-1,2,4-triazole IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylprop-2-enylsulfanyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-(2-methylallylthio)-5-phenyl-4-piperonyl-1,2,4-triazole Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NN=C(N1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CC(=C)CSC1=NN=C(N1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3O2S/c1-14(2)12-26-20-22-21-19(16-6-4-3-5-7-16)23(20)11-15-8-9-17-18(10-15)25-13-24-17/h3-10H,1,11-13H2,2H3