N-(2-cyano-1-benzofuran-3-yl)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-cyano-1-benzofuran-3-yl)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyanobenzofuran-3-yl)-2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-cyano-3-benzofuranyl)-2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-cyano-1-benzofuran-3-yl)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-cyanobenzofuran-3-yl)-2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)NC4=C(OC5=CC=CC=C54)C#N

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)NC4=C(OC5=CC=CC=C54)C#N

InChI

InChI=1S/C21H22N6O2S/c22-12-17-19(15-6-2-3-7-16(15)29-17)23-18(28)13-30-21-25-24-20(27(21)14-8-9-14)26-10-4-1-5-11-26/h2-3,6-7,14H,1,4-5,8-11,13H2,(H,23,28)