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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(1-cyanocyclohexyl)-2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SC(C)C(=O)NC2(CCCCC2)C#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1C(=NN=C1SC(C)C(=O)NC2(CCCCC2)C#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N5O2S/c1-15(2)27-19(17-8-10-18(29-4)11-9-17)25-26-21(27)30-16(3)20(28)24-22(14-23)12-6-5-7-13-22/h8-11,15-16H,5-7,12-13H2,1-4H3,(H,24,28)