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

Systemtic Name: 1-(4-tert-butylphenyl)-2-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(4-tert-butylphenyl)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(4-tert-butylphenyl)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(4-tert-butylphenyl)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(4-tert-butylphenyl)-2-[[5-(m-anisidino)-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S2/c1-21(2,3)15-10-8-14(9-11-15)18(25)13-27-20-24-23-19(28-20)22-16-6-5-7-17(12-16)26-4/h5-12H,13H2,1-4H3,(H,22,23)