2-[[4-azanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-propanamide

Systemtic Name: 2-[[4-azanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-propanamide Openeye Name: 2-[[4-amino-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-propanamide CAS Name: 2-[[4-amino-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-N-phenethylpropanamide IUPAC Name: 2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylpropanamide Traditional Name: 2-[[4-amino-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-propionamide Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2N)SC(C)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2N)SC(C)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C18H21N5O2S/c1-12-15(9-11-25-12)16-21-22-18(23(16)19)26-13(2)17(24)20-10-8-14-6-4-3-5-7-14/h3-7,9,11,13H,8,10,19H2,1-2H3,(H,20,24)