N-[2-(1H-indol-3-yl)ethyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[2-(1H-indol-3-yl)ethyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[2-(1H-indol-3-yl)ethyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-[2-(1H-indol-3-yl)ethyl]-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-[2-(1H-indol-3-yl)ethyl]-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C24H21N7OS MolecularWeight: 455.53484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NCCC3=CNC4=CC=CC=C43)CSC5=NC=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NCCC3=CNC4=CC=CC=C43)CSC5=NC=CC=N5

InChI

InChI=1S/C24H21N7OS/c32-23(25-14-11-17-15-28-20-10-5-4-9-19(17)20)22-21(16-33-24-26-12-6-13-27-24)31(30-29-22)18-7-2-1-3-8-18/h1-10,12-13,15,28H,11,14,16H2,(H,25,32)