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

Systemtic Name: 2-[[4-azanyl-5-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-yl-ethanamide Openeye Name: 2-[[4-amino-5-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-naphthyl)acetamide CAS Name: 2-[[4-amino-5-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-naphthalenyl)acetamide IUPAC Name: 2-[[4-amino-5-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylacetamide Traditional Name: 2-[[4-amino-5-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-naphthyl)acetamide Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC4=CC=CC=C4C=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC4=CC=CC=C4C=C3)OC

InChI

InChI=1S/C22H21N5O3S/c1-29-17-9-10-18(19(12-17)30-2)21-25-26-22(27(21)23)31-13-20(28)24-16-8-7-14-5-3-4-6-15(14)11-16/h3-12H,13,23H2,1-2H3,(H,24,28)