3-[4-(furan-2-ylmethyl)-5-(1-oxidanylidene-1-phenyl-propan-2-yl)sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-(furan-2-ylmethyl)-5-(1-oxidanylidene-1-phenyl-propan-2-yl)sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-(2-furylmethyl)-5-(1-methyl-2-oxo-2-phenyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-(2-furanylmethyl)-5-[(1-oxo-1-phenylpropan-2-yl)thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-(furan-2-ylmethyl)-5-(1-oxo-1-phenylpropan-2-yl)sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-(2-furfuryl)-5-[(2-keto-1-methyl-2-phenyl-ethyl)thio]-1,2,4-triazol-3-yl]propionamide Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S/c1-13(18(25)14-6-3-2-4-7-14)27-19-22-21-17(10-9-16(20)24)23(19)12-15-8-5-11-26-15/h2-8,11,13H,9-10,12H2,1H3,(H2,20,24)