3-[2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-phenyl-amino]propanamide

Systemtic Name: 3-[2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-phenyl-amino]propanamide Openeye Name: 3-(N-[2-[[4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]anilino)propanamide CAS Name: 3-(N-[2-[[4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]anilino)propanamide IUPAC Name: 3-(N-[2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]anilino)propanamide Traditional Name: 3-(N-[2-[[4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]acetyl]anilino)propionamide Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC(=O)N)C(=O)CSC2=NN=CN2CC3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)N(CCC(=O)N)C(=O)CSC2=NN=CN2CC3=CC=CO3

InChI

InChI=1S/C18H19N5O3S/c19-16(24)8-9-23(14-5-2-1-3-6-14)17(25)12-27-18-21-20-13-22(18)11-15-7-4-10-26-15/h1-7,10,13H,8-9,11-12H2,(H2,19,24)