N-[[4-(4-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[4-(4-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[5-benzylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[4-(4-methoxyphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[5-benzylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[5-(benzylthio)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Formula: C22H20N4O2S2 MolecularWeight: 436.5498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CNC(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CNC(=O)C4=CC=CS4

InChI

InChI=1S/C22H20N4O2S2/c1-28-18-11-9-17(10-12-18)26-20(14-23-21(27)19-8-5-13-29-19)24-25-22(26)30-15-16-6-3-2-4-7-16/h2-13H,14-15H2,1H3,(H,23,27)