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

Systemtic Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[[4-(3-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[[4-(3-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]-4-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=C(C=C4)N5C=CC=N5

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NN=C2SCCC3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)N5C=CC=N5

InChI

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