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

Systemtic Name: 2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-yl-propanamide Openeye Name: 2-[[4-(3-amino-3-oxo-propyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-naphthyl)propanamide CAS Name: 2-[[4-(3-amino-3-oxopropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-N-(2-naphthalenyl)propanamide IUPAC Name: 2-[[4-(3-amino-3-oxopropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylpropanamide Traditional Name: 2-[[4-(3-amino-3-keto-propyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(2-naphthyl)propionamide Formula: C22H21N5O2S2 MolecularWeight: 451.56444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)SC3=NN=C(N3CCC(=O)N)C4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)SC3=NN=C(N3CCC(=O)N)C4=CC=CS4

InChI

InChI=1S/C22H21N5O2S2/c1-14(21(29)24-17-9-8-15-5-2-3-6-16(15)13-17)31-22-26-25-20(18-7-4-12-30-18)27(22)11-10-19(23)28/h2-9,12-14H,10-11H2,1H3,(H2,23,28)(H,24,29)