N-[[5-(oxolan-2-ylmethylsulfanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[[5-(oxolan-2-ylmethylsulfanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[[4-benzyl-5-(tetrahydrofuran-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[[5-(2-oxolanylmethylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[[4-benzyl-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[[4-benzyl-5-(tetrahydrofurfurylthio)-1,2,4-triazol-3-yl]methyl]-4-pyrazol-1-yl-benzamide Formula: C25H26N6O2S MolecularWeight: 474.57794

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CSC2=NN=C(N2CC3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1CC(OC1)CSC2=NN=C(N2CC3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C25H26N6O2S/c32-24(20-9-11-21(12-10-20)31-14-5-13-27-31)26-16-23-28-29-25(34-18-22-8-4-15-33-22)30(23)17-19-6-2-1-3-7-19/h1-3,5-7,9-14,22H,4,8,15-18H2,(H,26,32)