2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC3=C(C=C2)OCCO3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(N1C2=CC3=C(C=C2)OCCO3)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H17N3O3S/c1-13-20-21-19(26-12-16(23)14-5-3-2-4-6-14)22(13)15-7-8-17-18(11-15)25-10-9-24-17/h2-8,11H,9-10,12H2,1H3