2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-phenoxyphenyl)butanamide

Systemtic Name: 2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-phenoxyphenyl)butanamide Openeye Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-phenoxyphenyl)butanamide CAS Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-(4-phenoxyphenyl)butanamide IUPAC Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-phenoxyphenyl)butanamide Traditional Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-(4-phenoxyphenyl)butyramide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)N3C(=NN=C3SCC)N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)N3C(=NN=C3SCC)N

InChI

InChI=1S/C20H23N5O2S/c1-3-17(25-19(21)23-24-20(25)28-4-2)18(26)22-14-10-12-16(13-11-14)27-15-8-6-5-7-9-15/h5-13,17H,3-4H2,1-2H3,(H2,21,23)(H,22,26)