N-[4-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoyl]phenyl]ethanamide

Systemtic Name: N-[4-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoyl]phenyl]ethanamide Openeye Name: N-[4-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoyl]phenyl]acetamide CAS Name: N-[4-[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-1-oxopropyl]phenyl]acetamide IUPAC Name: N-[4-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoyl]phenyl]acetamide Traditional Name: N-[4-[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]propanoyl]phenyl]acetamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O2S/c1-14(19(28)17-8-10-18(11-9-17)23-15(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,23,27)