1-(3-cyanophenyl)-3-[5-[(5-propan-2-ylpyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]urea

Systemtic Name: 1-(3-cyanophenyl)-3-[5-[(5-propan-2-ylpyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(3-cyanophenyl)-3-[5-[(5-isopropyl-2-pyridyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-(3-cyanophenyl)-3-[5-[(5-propan-2-yl-2-pyridinyl)methylthio]-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(3-cyanophenyl)-3-[5-[(5-propan-2-ylpyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-(3-cyanophenyl)-3-[5-[(5-isopropyl-2-pyridyl)methylthio]-1,3,4-thiadiazol-2-yl]urea Formula: C19H18N6OS2 MolecularWeight: 410.51582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CN=C(C=C1)CSC2=NN=C(S2)NC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)C1=CN=C(C=C1)CSC2=NN=C(S2)NC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H18N6OS2/c1-12(2)14-6-7-16(21-10-14)11-27-19-25-24-18(28-19)23-17(26)22-15-5-3-4-13(8-15)9-20/h3-8,10,12H,11H2,1-2H3,(H2,22,23,24,26)