1-[4-methoxy-3-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[3-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[3-[[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-4-methoxy-phenyl]ethanone Formula: C16H21N3O2S2 MolecularWeight: 351.48684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NN=C(S1)SCC2=C(C=CC(=C2)C(=O)C)OC

Isomeric SMILES

CC(C)CNC1=NN=C(S1)SCC2=C(C=CC(=C2)C(=O)C)OC

InChI

InChI=1S/C16H21N3O2S2/c1-10(2)8-17-15-18-19-16(23-15)22-9-13-7-12(11(3)20)5-6-14(13)21-4/h5-7,10H,8-9H2,1-4H3,(H,17,18)