2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(2-methoxyphenyl)butanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(2-methoxyphenyl)butanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(2-methoxyphenyl)butanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(2-methoxyphenyl)butanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(2-methoxyphenyl)butanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(2-methoxyphenyl)butyramide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1OC)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1OC)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C21H25N5O2S/c1-3-17(19(27)23-16-11-7-8-12-18(16)28-2)26-20(22)24-25-21(26)29-14-13-15-9-5-4-6-10-15/h4-12,17H,3,13-14H2,1-2H3,(H2,22,24)(H,23,27)