1-quinolin-4-yl-3-[4-(1,2,4-triazol-1-yl)phenyl]urea

Systemtic Name: 1-quinolin-4-yl-3-[4-(1,2,4-triazol-1-yl)phenyl]urea Openeye Name: 1-(4-quinolyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]urea CAS Name: 1-(4-quinolinyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]urea IUPAC Name: 1-quinolin-4-yl-3-[4-(1,2,4-triazol-1-yl)phenyl]urea Traditional Name: 1-(4-quinolyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]urea Formula: C18H14N6O MolecularWeight: 330.34336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)NC(=O)NC3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)NC(=O)NC3=CC=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C18H14N6O/c25-18(23-17-9-10-20-16-4-2-1-3-15(16)17)22-13-5-7-14(8-6-13)24-12-19-11-21-24/h1-12H,(H2,20,22,23,25)