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

Systemtic Name: 2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide Openeye Name: 2-[[4-(3-amino-3-oxo-propyl)-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide CAS Name: 2-[[4-(3-amino-3-oxopropyl)-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-N-methylpropanamide IUPAC Name: 2-[[4-(3-amino-3-oxopropyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-methylpropanamide Traditional Name: 2-[[4-(3-amino-3-keto-propyl)-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-N-methyl-propionamide Formula: C13H17N5O3S MolecularWeight: 323.37078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)SC1=NN=C(N1CCC(=O)N)C2=CC=CO2

Isomeric SMILES

CC(C(=O)NC)SC1=NN=C(N1CCC(=O)N)C2=CC=CO2

InChI

InChI=1S/C13H17N5O3S/c1-8(12(20)15-2)22-13-17-16-11(9-4-3-7-21-9)18(13)6-5-10(14)19/h3-4,7-8H,5-6H2,1-2H3,(H2,14,19)(H,15,20)