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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(1-cyanocyclohexyl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C25H29N5OS2 MolecularWeight: 479.66066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)SC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C25H29N5OS2/c1-19(23(31)27-25(18-26)13-6-3-7-14-25)33-24-29-28-22(17-21-11-8-16-32-21)30(24)15-12-20-9-4-2-5-10-20/h2,4-5,8-11,16,19H,3,6-7,12-15,17H2,1H3,(H,27,31)