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

Systemtic Name: N-aminocarbonyl-2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-(3-amino-3-oxo-propyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-propanamide CAS Name: 2-[[4-(3-amino-3-oxopropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-N-carbamoylpropanamide IUPAC Name: 2-[[4-(3-amino-3-oxopropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoylpropanamide Traditional Name: 2-[[4-(3-amino-3-keto-propyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-carbamoyl-propionamide Formula: C13H16N6O3S2 MolecularWeight: 368.43454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)SC1=NN=C(N1CCC(=O)N)C2=CC=CS2

Isomeric SMILES

CC(C(=O)NC(=O)N)SC1=NN=C(N1CCC(=O)N)C2=CC=CS2

InChI

InChI=1S/C13H16N6O3S2/c1-7(11(21)16-12(15)22)24-13-18-17-10(8-3-2-6-23-8)19(13)5-4-9(14)20/h2-3,6-7H,4-5H2,1H3,(H2,14,20)(H3,15,16,21,22)