2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-yl-ethanone

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-yl-ethanone Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-naphthyl)ethanone CAS Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(2-naphthalenyl)ethanone IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone Traditional Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(2-naphthyl)ethanone Formula: C27H19N3O3S MolecularWeight: 465.52306

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C27H19N3O3S/c31-23(20-11-10-18-6-4-5-7-19(18)14-20)16-34-27-29-28-26(30(27)22-8-2-1-3-9-22)21-12-13-24-25(15-21)33-17-32-24/h1-15H,16-17H2