3-(1,3-benzodioxol-5-yl)-5-(naphthalen-1-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-(naphthalen-1-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-(1-naphthylmethylsulfanyl)-4-phenyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-(1-naphthalenylmethylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-(naphthalen-1-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-(1-naphthylmethylthio)-4-phenyl-1,2,4-triazole Formula: C26H19N3O2S MolecularWeight: 437.51296

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C26H19N3O2S/c1-2-10-21(11-3-1)29-25(19-13-14-23-24(15-19)31-17-30-23)27-28-26(29)32-16-20-9-6-8-18-7-4-5-12-22(18)20/h1-15H,16-17H2