[1-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,3-triazol-4-yl]-thiomorpholin-4-yl-methanone

Systemtic Name: [1-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,3-triazol-4-yl]-thiomorpholin-4-yl-methanone Openeye Name: [1-(3,4-dimethylphenyl)-5-(4-pyridyl)triazol-4-yl]-thiomorpholino-methanone CAS Name: [1-(3,4-dimethylphenyl)-5-pyridin-4-yl-4-triazolyl]-thiomorpholin-4-ylmethanone IUPAC Name: [1-(3,4-dimethylphenyl)-5-pyridin-4-yltriazol-4-yl]-thiomorpholin-4-ylmethanone Traditional Name: [1-(3,4-dimethylphenyl)-5-(4-pyridyl)triazol-4-yl]-thiomorpholino-methanone Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)N3CCSCC3)C4=CC=NC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)N3CCSCC3)C4=CC=NC=C4)C

InChI

InChI=1S/C20H21N5OS/c1-14-3-4-17(13-15(14)2)25-19(16-5-7-21-8-6-16)18(22-23-25)20(26)24-9-11-27-12-10-24/h3-8,13H,9-12H2,1-2H3