2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(furan-2-ylmethyl)propanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(furan-2-ylmethyl)propanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(2-furylmethyl)propanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(2-furanylmethyl)propanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(furan-2-ylmethyl)propanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(2-furfuryl)propionamide Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)NCC1=CC=CO1)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C18H21N5O2S/c1-13(16(24)20-12-15-8-5-10-25-15)23-17(19)21-22-18(23)26-11-9-14-6-3-2-4-7-14/h2-8,10,13H,9,11-12H2,1H3,(H2,19,21)(H,20,24)