prop-2-enyl 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: prop-2-enyl 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: allyl 2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-1-oxopropyl]amino]-4-methyl-5-thiazolecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]propanoylamino]-4-methyl-thiazole-5-carboxylic acid allyl ester Formula: C21H24N6O3S2 MolecularWeight: 472.58366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C(C)N2C(=NN=C2SCCC3=CC=CC=C3)N)C(=O)OCC=C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C(C)N2C(=NN=C2SCCC3=CC=CC=C3)N)C(=O)OCC=C

InChI

InChI=1S/C21H24N6O3S2/c1-4-11-30-18(29)16-13(2)23-20(32-16)24-17(28)14(3)27-19(22)25-26-21(27)31-12-10-15-8-6-5-7-9-15/h4-9,14H,1,10-12H2,2-3H3,(H2,22,25)(H,23,24,28)