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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=C(C=CC(=C1)N2C=NN=N2)C

Isomeric SMILES

CCCCNC(=O)NC1=C(C=CC(=C1)N2C=NN=N2)C

InChI

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