1-(4-tert-butylphenyl)-3-[5-[(4-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]urea

Systemtic Name: 1-(4-tert-butylphenyl)-3-[5-[(4-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(4-tert-butylphenyl)-3-[5-(p-tolylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-(4-tert-butylphenyl)-3-[5-[[(4-methylphenyl)thio]methyl]-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(4-tert-butylphenyl)-3-[5-[(4-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-(4-tert-butylphenyl)-3-[5-[(p-tolylthio)methyl]-1,3,4-thiadiazol-2-yl]urea Formula: C21H24N4OS2 MolecularWeight: 412.57146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H24N4OS2/c1-14-5-11-17(12-6-14)27-13-18-24-25-20(28-18)23-19(26)22-16-9-7-15(8-10-16)21(2,3)4/h5-12H,13H2,1-4H3,(H2,22,23,25,26)