3-[3-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[[2-(2,5-dimethylphenyl)-2-oxoethyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[[2-(2,5-dimethylphenyl)-2-keto-ethyl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C19H20N4O2S2 MolecularWeight: 400.5177

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3

InChI

InChI=1S/C19H20N4O2S2/c1-12-5-6-13(2)14(10-12)15(24)11-27-19-22-21-18(16-4-3-9-26-16)23(19)8-7-17(20)25/h3-6,9-10H,7-8,11H2,1-2H3,(H2,20,25)