1-[2-tert-butyl-5-[3-(1,2,4-triazol-1-yl)propoxymethyl]phenyl]urea

Systemtic Name: 1-[2-tert-butyl-5-[3-(1,2,4-triazol-1-yl)propoxymethyl]phenyl]urea Openeye Name: [2-tert-butyl-5-[3-(1,2,4-triazol-1-yl)propoxymethyl]phenyl]urea CAS Name: [2-tert-butyl-5-[3-(1,2,4-triazol-1-yl)propoxymethyl]phenyl]urea IUPAC Name: [2-tert-butyl-5-[3-(1,2,4-triazol-1-yl)propoxymethyl]phenyl]urea Traditional Name: [2-tert-butyl-5-[3-(1,2,4-triazol-1-yl)propoxymethyl]phenyl]urea Formula: C17H25N5O2 MolecularWeight: 331.4127

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)COCCCN2C=NC=N2)NC(=O)N

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)COCCCN2C=NC=N2)NC(=O)N

InChI

InChI=1S/C17H25N5O2/c1-17(2,3)14-6-5-13(9-15(14)21-16(18)23)10-24-8-4-7-22-12-19-11-20-22/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H3,18,21,23)