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

Systemtic Name: N-(2-cyanophenyl)-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(2-cyanophenyl)-2-[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-cyanophenyl)-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-cyanophenyl)-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(2-cyanophenyl)-2-[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H17N5OS2 MolecularWeight: 383.49048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NN=CN2CCC3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NN=CN2CCC3=CC=CS3

InChI

InChI=1S/C18H17N5OS2/c1-13(17(24)21-16-7-3-2-5-14(16)11-19)26-18-22-20-12-23(18)9-8-15-6-4-10-25-15/h2-7,10,12-13H,8-9H2,1H3,(H,21,24)