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

Systemtic Name: 1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-N-(thiophen-2-ylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-N-(2-thienylmethyl)triazole-4-carboxamide CAS Name: 1-phenyl-5-[(2-pyrimidinylthio)methyl]-N-(thiophen-2-ylmethyl)-4-triazolecarboxamide IUPAC Name: 1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide Traditional Name: 1-phenyl-5-[(2-pyrimidylthio)methyl]-N-(2-thenyl)triazole-4-carboxamide Formula: C19H16N6OS2 MolecularWeight: 408.49994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NCC3=CC=CS3)CSC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NCC3=CC=CS3)CSC4=NC=CC=N4

InChI

InChI=1S/C19H16N6OS2/c26-18(22-12-15-8-4-11-27-15)17-16(13-28-19-20-9-5-10-21-19)25(24-23-17)14-6-2-1-3-7-14/h1-11H,12-13H2,(H,22,26)