N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide

Systemtic Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-(5-phenyl-2-furyl)propanamide CAS Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]-3-(5-phenyl-2-furanyl)propanamide IUPAC Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-(5-phenyl-2-furyl)propionamide Formula: C22H21N5O2S2 MolecularWeight: 451.56444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CCC2=CC=C(O2)C3=CC=CC=C3)C4=NNC(=S)N4CC=C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CCC2=CC=C(O2)C3=CC=CC=C3)C4=NNC(=S)N4CC=C

InChI

InChI=1S/C22H21N5O2S2/c1-3-13-27-20(25-26-22(27)30)19-14(2)23-21(31-19)24-18(28)12-10-16-9-11-17(29-16)15-7-5-4-6-8-15/h3-9,11H,1,10,12-13H2,2H3,(H,26,30)(H,23,24,28)