1-butan-2-yl-3-[2-methyl-5-(1,2,3,4-tetrazol-1-yl)phenyl]urea

Systemtic Name: 1-butan-2-yl-3-[2-methyl-5-(1,2,3,4-tetrazol-1-yl)phenyl]urea Openeye Name: 1-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-sec-butyl-urea CAS Name: 1-butan-2-yl-3-[2-methyl-5-(1-tetrazolyl)phenyl]urea IUPAC Name: 1-butan-2-yl-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea Traditional Name: 1-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-sec-butyl-urea Formula: C13H18N6O MolecularWeight: 274.32162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC1=C(C=CC(=C1)N2C=NN=N2)C

Isomeric SMILES

CCC(C)NC(=O)NC1=C(C=CC(=C1)N2C=NN=N2)C

InChI

InChI=1S/C13H18N6O/c1-4-10(3)15-13(20)16-12-7-11(6-5-9(12)2)19-8-14-17-18-19/h5-8,10H,4H2,1-3H3,(H2,15,16,20)