4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-5-(2-propan-2-yloxyethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-5-(2-propan-2-yloxyethylsulfanyl)-1,2,4-triazole Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2-isopropoxyethylsulfanyl)-5-phenyl-1,2,4-triazole CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-5-(2-propan-2-yloxyethylthio)-1,2,4-triazole IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-5-(2-propan-2-yloxyethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(2-isopropoxyethylthio)-5-phenyl-4-piperonyl-1,2,4-triazole Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCSC1=NN=C(N1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CC(C)OCCSC1=NN=C(N1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S/c1-15(2)25-10-11-28-21-23-22-20(17-6-4-3-5-7-17)24(21)13-16-8-9-18-19(12-16)27-14-26-18/h3-9,12,15H,10-11,13-14H2,1-2H3