N-(1-cyanocyclohexyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(1-cyanocyclohexyl)-2-[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C22H23N5O2S/c1-16(20(28)24-22(15-23)12-6-3-7-13-22)30-21-26-25-19(18-11-8-14-29-18)27(21)17-9-4-2-5-10-17/h2,4-5,8-11,14,16H,3,6-7,12-13H2,1H3,(H,24,28)