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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C21H16N6O3S MolecularWeight: 432.45514

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=C(N(N=N3)C4=CC=CC=C4)CSC5=NC=CC=N5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=C(N(N=N3)C4=CC=CC=C4)CSC5=NC=CC=N5

InChI

InChI=1S/C21H16N6O3S/c28-20(24-14-7-8-17-18(11-14)30-13-29-17)19-16(12-31-21-22-9-4-10-23-21)27(26-25-19)15-5-2-1-3-6-15/h1-11H,12-13H2,(H,24,28)