1-methyl-3-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]urea

Systemtic Name: 1-methyl-3-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]urea Openeye Name: 3-[5-(1,1-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-1-methyl-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]urea CAS Name: 1-methyl-3-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]urea IUPAC Name: 1-methyl-3-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]urea Traditional Name: 3-(5-tert-amyl-1,3,4-thiadiazol-2-yl)-1-methyl-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]urea Formula: C19H24N6OS MolecularWeight: 384.49846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=NN=C(S1)NC(=O)N(C)CC2=C(NN=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)C1=NN=C(S1)NC(=O)N(C)CC2=C(NN=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H24N6OS/c1-5-19(2,3)16-23-24-17(27-16)21-18(26)25(4)12-14-11-20-22-15(14)13-9-7-6-8-10-13/h6-11H,5,12H2,1-4H3,(H,20,22)(H,21,24,26)