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

Systemtic Name: 2-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-propanamide Openeye Name: 2-[[5-(3-amino-3-oxo-propyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-propanamide CAS Name: 2-[[5-(3-amino-3-oxopropyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-N-methyl-N-phenylpropanamide IUPAC Name: 2-[[5-(3-amino-3-oxopropyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide Traditional Name: 2-[[5-(3-amino-3-keto-propyl)-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]-N-methyl-N-phenyl-propionamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1=CC=CC=C1)SC2=NN=C(N2CC3=CC=CO3)CCC(=O)N

Isomeric SMILES

CC(C(=O)N(C)C1=CC=CC=C1)SC2=NN=C(N2CC3=CC=CO3)CCC(=O)N

InChI

InChI=1S/C20H23N5O3S/c1-14(19(27)24(2)15-7-4-3-5-8-15)29-20-23-22-18(11-10-17(21)26)25(20)13-16-9-6-12-28-16/h3-9,12,14H,10-11,13H2,1-2H3,(H2,21,26)