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

Systemtic Name: 2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-(phenylmethyl)propanamide Openeye Name: 2-[[4-(3-amino-3-oxo-propyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-N-ethyl-propanamide CAS Name: 2-[[4-(3-amino-3-oxopropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(phenylmethyl)propanamide IUPAC Name: 2-[[4-(3-amino-3-oxopropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-N-ethylpropanamide Traditional Name: 2-[[4-(3-amino-3-keto-propyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-benzyl-N-ethyl-propionamide Formula: C21H25N5O2S2 MolecularWeight: 443.5855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C(C)SC2=NN=C(N2CCC(=O)N)C3=CC=CS3

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)C(C)SC2=NN=C(N2CCC(=O)N)C3=CC=CS3

InChI

InChI=1S/C21H25N5O2S2/c1-3-25(14-16-8-5-4-6-9-16)20(28)15(2)30-21-24-23-19(17-10-7-13-29-17)26(21)12-11-18(22)27/h4-10,13,15H,3,11-12,14H2,1-2H3,(H2,22,27)