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

Systemtic Name: N-(diphenylmethyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-benzhydryl-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-(diphenylmethyl)-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-benzhydryl-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-benzhydryl-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C27H22N6OS MolecularWeight: 478.56818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=C(N(N=N3)C4=CC=CC=C4)CSC5=NC=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=C(N(N=N3)C4=CC=CC=C4)CSC5=NC=CC=N5

InChI

InChI=1S/C27H22N6OS/c34-26(30-24(20-11-4-1-5-12-20)21-13-6-2-7-14-21)25-23(19-35-27-28-17-10-18-29-27)33(32-31-25)22-15-8-3-9-16-22/h1-18,24H,19H2,(H,30,34)