2-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide

Systemtic Name: 2-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[[1-(4-bromophenyl)-5-tetrazolyl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[[1-(4-bromophenyl)tetrazol-5-yl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C17H14BrN5O3S MolecularWeight: 448.29376

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=NN3C4=CC=C(C=C4)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=NN3C4=CC=C(C=C4)Br

InChI

InChI=1S/C17H14BrN5O3S/c18-11-1-4-13(5-2-11)23-17(20-21-22-23)27-10-16(24)19-12-3-6-14-15(9-12)26-8-7-25-14/h1-6,9H,7-8,10H2,(H,19,24)