2-[[4-(2-azanyl-2-oxidanylidene-ethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)propanamide

Systemtic Name: 2-[[4-(2-azanyl-2-oxidanylidene-ethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)propanamide Openeye Name: 2-[[4-(2-amino-2-oxo-ethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)propanamide CAS Name: 2-[[4-(2-amino-2-oxoethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-N-(2-cyanophenyl)propanamide IUPAC Name: 2-[[4-(2-amino-2-oxoethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)propanamide Traditional Name: 2-[[4-(2-amino-2-keto-ethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(2-cyanophenyl)propionamide Formula: C18H16N6O2S2 MolecularWeight: 412.48864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NN=C(N2CC(=O)N)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NN=C(N2CC(=O)N)C3=CC=CS3

InChI

InChI=1S/C18H16N6O2S2/c1-11(17(26)21-13-6-3-2-5-12(13)9-19)28-18-23-22-16(14-7-4-8-27-14)24(18)10-15(20)25/h2-8,11H,10H2,1H3,(H2,20,25)(H,21,26)