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

Systemtic Name: N-(3,3-diphenylpropyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(3,3-diphenylpropyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-(3,3-diphenylpropyl)-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-(3,3-diphenylpropyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-(3,3-diphenylpropyl)-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C29H26N6OS MolecularWeight: 506.62134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNC(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(CCNC(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C29H26N6OS/c36-28(30-20-17-25(22-11-4-1-5-12-22)23-13-6-2-7-14-23)27-26(21-37-29-31-18-10-19-32-29)35(34-33-27)24-15-8-3-9-16-24/h1-16,18-19,25H,17,20-21H2,(H,30,36)