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

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-ethanamide Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthyl)acetamide CAS Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)acetamide IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide Traditional Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(1-naphthyl)acetamide Formula: C27H20N4O3S MolecularWeight: 480.5377

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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)NC5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)NC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C27H20N4O3S/c32-25(28-22-12-6-8-18-7-4-5-11-21(18)22)16-35-27-30-29-26(31(27)20-9-2-1-3-10-20)19-13-14-23-24(15-19)34-17-33-23/h1-15H,16-17H2,(H,28,32)