(2S)-1-(4-ethylphenyl)-2-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one

Systemtic Name: (2S)-1-(4-ethylphenyl)-2-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one Openeye Name: (2S)-1-(4-ethylphenyl)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one CAS Name: (2S)-1-(4-ethylphenyl)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]-1-propanone IUPAC Name: (2S)-1-(4-ethylphenyl)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one Traditional Name: (2S)-1-(4-ethylphenyl)-2-[[5-(m-anisidino)-1,3,4-thiadiazol-2-yl]thio]propan-1-one Formula: C20H21N3O2S2 MolecularWeight: 399.52964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(S2)NC3=CC(=CC=C3)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NN=C(S2)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H21N3O2S2/c1-4-14-8-10-15(11-9-14)18(24)13(2)26-20-23-22-19(27-20)21-16-6-5-7-17(12-16)25-3/h5-13H,4H2,1-3H3,(H,21,22)/t13-/m0/s1