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

Systemtic Name: N-(3-cyanophenyl)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(3-cyanophenyl)-2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(3-cyanophenyl)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(3-cyanophenyl)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(3-cyanophenyl)-2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C23H25N5OS2 MolecularWeight: 451.6075

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)SC2=NN=C(N2C3CCCCC3)CC4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)SC2=NN=C(N2C3CCCCC3)CC4=CC=CS4

InChI

InChI=1S/C23H25N5OS2/c1-16(22(29)25-18-8-5-7-17(13-18)15-24)31-23-27-26-21(14-20-11-6-12-30-20)28(23)19-9-3-2-4-10-19/h5-8,11-13,16,19H,2-4,9-10,14H2,1H3,(H,25,29)