2-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-propylphenyl)ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NC3=CC(=CC=C3)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H21N3O2S2/c1-3-5-14-8-10-15(11-9-14)18(24)13-26-20-23-22-19(27-20)21-16-6-4-7-17(12-16)25-2/h4,6-12H,3,5,13H2,1-2H3,(H,21,22)