N-(3-ethanoylphenyl)-2-[[5-(furan-2-yl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-ethanoylphenyl)-2-[[5-(furan-2-yl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-acetylphenyl)-2-[[5-(2-furyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-acetylphenyl)-2-[[5-(2-furanyl)-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[[5-(furan-2-yl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[[5-(2-furyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H17N5O3S MolecularWeight: 407.44568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CC=CO4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CC=CO4

InChI

InChI=1S/C20H17N5O3S/c1-14(26)15-6-4-7-16(12-15)21-18(27)13-29-20-23-22-19(17-8-5-11-28-17)25(20)24-9-2-3-10-24/h2-12H,13H2,1H3,(H,21,27)