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

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(2,4-dimethoxyphenyl)ethanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(2,4-dimethoxyphenyl)acetamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(2,4-dimethoxyphenyl)acetamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CN2C(=NN=C2SCC3=CC=CC=C3)N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CN2C(=NN=C2SCC3=CC=CC=C3)N)OC

InChI

InChI=1S/C19H21N5O3S/c1-26-14-8-9-15(16(10-14)27-2)21-17(25)11-24-18(20)22-23-19(24)28-12-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H2,20,22)(H,21,25)