N-(1-cyanocyclohexyl)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(1-cyanocyclohexyl)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H25N5OS2 MolecularWeight: 415.5754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=NN=C(N2C3CC3)CC4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)SC2=NN=C(N2C3CC3)CC4=CC=CS4

InChI

InChI=1S/C20H25N5OS2/c1-14(18(26)22-20(13-21)9-3-2-4-10-20)28-19-24-23-17(25(19)15-7-8-15)12-16-6-5-11-27-16/h5-6,11,14-15H,2-4,7-10,12H2,1H3,(H,22,26)