N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C22H18N6O3S MolecularWeight: 446.48172

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C3=C(N(N=N3)C4=CC=CC=C4)CSC5=NC=CC=N5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)C3=C(N(N=N3)C4=CC=CC=C4)CSC5=NC=CC=N5

InChI

InChI=1S/C22H18N6O3S/c29-21(25-15-7-8-18-19(13-15)31-12-11-30-18)20-17(14-32-22-23-9-4-10-24-22)28(27-26-20)16-5-2-1-3-6-16/h1-10,13H,11-12,14H2,(H,25,29)