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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3-phenoxypropylsulfanyl)-5-phenyl-1,2,4-triazole Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3-phenoxypropylsulfanyl)-5-phenyl-1,2,4-triazole CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3-phenoxypropylthio)-5-phenyl-1,2,4-triazole IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3-phenoxypropylsulfanyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-(3-phenoxypropylthio)-5-phenyl-4-piperonyl-1,2,4-triazole Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCCCOC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCCCOC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H23N3O3S/c1-3-8-20(9-4-1)24-26-27-25(32-15-7-14-29-21-10-5-2-6-11-21)28(24)17-19-12-13-22-23(16-19)31-18-30-22/h1-6,8-13,16H,7,14-15,17-18H2