2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethanoylphenyl)propanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethanoylphenyl)propanamide Openeye Name: N-(4-acetylphenyl)-2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanamide CAS Name: N-(4-acetylphenyl)-2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(4-acetylphenyl)-2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanamide Traditional Name: N-(4-acetylphenyl)-2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]propionamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C21H23N5O2S/c1-14(19(28)23-18-10-8-17(9-11-18)15(2)27)26-20(22)24-25-21(26)29-13-12-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H2,22,24)(H,23,28)