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

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(2,4-dimethoxyphenyl)butanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(2,4-dimethoxyphenyl)butanamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(2,4-dimethoxyphenyl)butanamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(2,4-dimethoxyphenyl)butanamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(2,4-dimethoxyphenyl)butyramide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O3S/c1-4-17(19(27)23-16-11-10-15(28-2)12-18(16)29-3)26-20(22)24-25-21(26)30-13-14-8-6-5-7-9-14/h5-12,17H,4,13H2,1-3H3,(H2,22,24)(H,23,27)