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

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(furan-2-ylmethyl)propanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(2-furylmethyl)propanamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(2-furanylmethyl)propanamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(furan-2-ylmethyl)propanamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(2-furfuryl)propionamide Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)N2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)NCC1=CC=CO1)N2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C17H19N5O2S/c1-12(15(23)19-10-14-8-5-9-24-14)22-16(18)20-21-17(22)25-11-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H2,18,20)(H,19,23)