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

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-phenoxyphenyl)butanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-phenoxyphenyl)butanamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(4-phenoxyphenyl)butanamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-phenoxyphenyl)butanamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(4-phenoxyphenyl)butyramide Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)N3C(=NN=C3SCC4=CC=CC=C4)N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)N3C(=NN=C3SCC4=CC=CC=C4)N

InChI

InChI=1S/C25H25N5O2S/c1-2-22(30-24(26)28-29-25(30)33-17-18-9-5-3-6-10-18)23(31)27-19-13-15-21(16-14-19)32-20-11-7-4-8-12-20/h3-16,22H,2,17H2,1H3,(H2,26,28)(H,27,31)