N-(4-acetamidophenyl)-2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[[4-ethyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[[4-ethyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H23N5O2S2 MolecularWeight: 441.56962

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)NC(=O)C)CSC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)NC(=O)C)CSC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S2/c1-3-26-19(13-29-18-7-5-4-6-8-18)24-25-21(26)30-14-20(28)23-17-11-9-16(10-12-17)22-15(2)27/h4-12H,3,13-14H2,1-2H3,(H,22,27)(H,23,28)