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

Systemtic Name: N-cyclododecyl-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-cyclododecyl-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-cyclododecyl-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-cyclododecyl-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-cyclododecyl-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C26H34N6OS MolecularWeight: 478.65276

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCCC1)NC(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4

Isomeric SMILES

C1CCCCCC(CCCCC1)NC(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4

InChI

InChI=1S/C26H34N6OS/c33-25(29-21-14-9-6-4-2-1-3-5-7-10-15-21)24-23(20-34-26-27-18-13-19-28-26)32(31-30-24)22-16-11-8-12-17-22/h8,11-13,16-19,21H,1-7,9-10,14-15,20H2,(H,29,33)