2,3-dihydroindol-1-yl-[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]methanone

Systemtic Name: 2,3-dihydroindol-1-yl-[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]methanone Openeye Name: indolin-1-yl-[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]methanone CAS Name: 2,3-dihydroindol-1-yl-[1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolyl]methanone IUPAC Name: 2,3-dihydroindol-1-yl-[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]methanone Traditional Name: indolin-1-yl-[1-phenyl-5-[(2-pyrimidylthio)methyl]triazol-4-yl]methanone Formula: C22H18N6OS MolecularWeight: 414.48292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)C3=C(N(N=N3)C4=CC=CC=C4)CSC5=NC=CC=N5

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)C3=C(N(N=N3)C4=CC=CC=C4)CSC5=NC=CC=N5

InChI

InChI=1S/C22H18N6OS/c29-21(27-14-11-16-7-4-5-10-18(16)27)20-19(15-30-22-23-12-6-13-24-22)28(26-25-20)17-8-2-1-3-9-17/h1-10,12-13H,11,14-15H2