2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-ethanoylphenyl)butanamide

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-ethanoylphenyl)butanamide Openeye Name: N-(3-acetylphenyl)-2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)butanamide CAS Name: N-(3-acetylphenyl)-2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]butanamide IUPAC Name: N-(3-acetylphenyl)-2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)butanamide Traditional Name: N-(3-acetylphenyl)-2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]butyramide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)C)N2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)C)N2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C21H23N5O2S/c1-3-18(19(28)23-17-11-7-10-16(12-17)14(2)27)26-20(22)24-25-21(26)29-13-15-8-5-4-6-9-15/h4-12,18H,3,13H2,1-2H3,(H2,22,24)(H,23,28)