N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-pyrazol-1-yl-benzamide

Systemtic Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-pyrazol-1-yl-benzamide Openeye Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-pyrazol-1-yl-benzamide CAS Name: N-[[4-(3-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]-2-(1-pyrazolyl)benzamide IUPAC Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-pyrazol-1-ylbenzamide Traditional Name: N-[[4-(3-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]-2-pyrazol-1-yl-benzamide Formula: C28H26N6O2S MolecularWeight: 510.61004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=NN=C2SCCC3=CC=CC=C3)CNC(=O)C4=CC=CC=C4N5C=CC=N5

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NN=C2SCCC3=CC=CC=C3)CNC(=O)C4=CC=CC=C4N5C=CC=N5

InChI

InChI=1S/C28H26N6O2S/c1-36-23-12-7-11-22(19-23)34-26(31-32-28(34)37-18-15-21-9-3-2-4-10-21)20-29-27(35)24-13-5-6-14-25(24)33-17-8-16-30-33/h2-14,16-17,19H,15,18,20H2,1H3,(H,29,35)