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

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(2,4-dimethoxyphenyl)butanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(2,4-dimethoxyphenyl)butanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(2,4-dimethoxyphenyl)butanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(2,4-dimethoxyphenyl)butanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(2,4-dimethoxyphenyl)butyramide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1)OC)OC)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)OC)OC)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C22H27N5O3S/c1-4-18(20(28)24-17-11-10-16(29-2)14-19(17)30-3)27-21(23)25-26-22(27)31-13-12-15-8-6-5-7-9-15/h5-11,14,18H,4,12-13H2,1-3H3,(H2,23,25)(H,24,28)