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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(1-cyanocyclohexyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C16H19N5OS2 MolecularWeight: 361.48496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)SC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C16H19N5OS2/c1-11(14(22)19-16(10-17)7-3-2-4-8-16)24-15-18-13(20-21-15)12-6-5-9-23-12/h5-6,9,11H,2-4,7-8H2,1H3,(H,19,22)(H,18,20,21)