1-[5,7-bis(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-yl]-3-ethyl-urea

Systemtic Name: 1-[5,7-bis(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-yl]-3-ethyl-urea Openeye Name: 1-[5,7-bis(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-yl]-3-ethyl-urea CAS Name: 1-[5,7-bis(1-methyl-4-pyrazolyl)-1,3-benzothiazol-2-yl]-3-ethylurea IUPAC Name: 1-[5,7-bis(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-yl]-3-ethylurea Traditional Name: 1-[5,7-bis(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-yl]-3-ethyl-urea Formula: C18H19N7OS MolecularWeight: 381.45476

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=CC(=CC(=C2S1)C3=CN(N=C3)C)C4=CN(N=C4)C

Isomeric SMILES

CCNC(=O)NC1=NC2=CC(=CC(=C2S1)C3=CN(N=C3)C)C4=CN(N=C4)C

InChI

InChI=1S/C18H19N7OS/c1-4-19-17(26)23-18-22-15-6-11(12-7-20-24(2)9-12)5-14(16(15)27-18)13-8-21-25(3)10-13/h5-10H,4H2,1-3H3,(H2,19,22,23,26)